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CAS 1029413-43-1 tert-butyl 4-(2-(4-amino-1H-pyrazol-1-yl)ethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1029413-43-1

tert-butyl 4-(2-(4-amino-1H-pyrazol-1-yl)ethyl)piperidine-1-carboxylate

  • Product code: SSC-004278
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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: 1g
  • 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 1029413-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1029413-43-1 / tert-butyl 4-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylate

1-(2-(1-boc-piperidin-4-yl)-ethyl)-1h-pyrazol-4-ylamine | tert-butyl 4-(2-(4-amino-1H-pyrazol-1-yl)ethyl)piperidine-1-carboxylate | MFCD10687119

Standard CAS: 1029413-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1029413-43-1
Multi CAS
No
Molecular Formula
C15H26N4O2
Molecular Weight
294.390000
Exact Mass
294.205576
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CCN2C=C(C=N2)N
InChI
InChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)18-7-4-12(5-8-18)6-9-19-11-13(16)10-17-19/h10-12H,4-9,16H2,1-3H3
InChIKey
SHZGLPIAOJMENJ-UHFFFAOYSA-N
Synonyms
1-(2-(1-boc-piperidin-4-yl)-ethyl)-1h-pyrazol-4-ylamine tert-butyl 4-(2-(4-amino-1H-pyrazol-1-yl)ethyl)piperidine-1-carboxylate MFCD10687119 tert-butyl 4-[2-(4-aminopyrazol-1-yl)ethyl]piperidine-1-carboxylate SCHEMBL15939449

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.79
TPSA
73.38

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
1.5
Consensus LogP
2.07
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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