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CAS 1029413-51-1 tert-butyl3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate molecular structure lightbox
CAS RN: 1029413-51-1

tert-butyl3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250117 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250617 1g In stock Shanghai Inquiry
Batchno.20260410 250mg In stock Shanghai Inquiry
Batchno.20250517 5g In stock Shanghai Inquiry
  • Product code: SSC-004279
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1029413-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1029413-51-1 / tert-butyl 3-(4-aminopyrazol-1-yl)azetidine-1-carboxylate

4-Amino-1-(1-Boc-azetidin-3-yl)-1H-pyrazole | tert-butyl 3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate | MFCD10687122

Standard CAS: 1029413-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1029413-51-1
Multi CAS
No
Molecular Formula
C11H18N4O2
Molecular Weight
238.290000
Exact Mass
238.142976
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=C(C=N2)N
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)14-6-9(7-14)15-5-8(12)4-13-15/h4-5,9H,6-7,12H2,1-3H3
InChIKey
JYDHOTMQNGXWGO-UHFFFAOYSA-N
Synonyms
4-Amino-1-(1-Boc-azetidin-3-yl)-1H-pyrazole tert-butyl 3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate MFCD10687122 tert-butyl 3-(4-aminopyrazol-1-yl)azetidine-1-carboxylate tert-butyl3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.48
TPSA
73.38

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
0.2
Consensus LogP
0.86
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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