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CAS 1201935-68-3 tert-butyl 4-(3-nitropyrazol-l-yl)piperidine-l-carboxylate molecular structure lightbox
CAS RN: 1201935-68-3

tert-butyl 4-(3-nitropyrazol-l-yl)piperidine-l-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-021018
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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 1201935-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1201935-68-3 / tert-butyl 4-(3-nitropyrazol-1-yl)piperidine-1-carboxylate

tert-Butyl 4-(3-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate | MFCD28118478 | tert-butyl 4-(3-nitropyrazol-1-yl)piperidine-1-carboxylate

Standard CAS: 1201935-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201935-68-3
Multi CAS
No
Molecular Formula
C13H20N4O4
Molecular Weight
296.320000
Exact Mass
296.148455
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC(=N2)[N+](=O)[O-]
InChI
InChI=1S/C13H20N4O4/c1-13(2,3)21-12(18)15-7-4-10(5-8-15)16-9-6-11(14-16)17(19)20/h6,9-10H,4-5,7-8H2,1-3H3
InChIKey
MGTHQEFQFSKJPA-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-(3-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate MFCD28118478 tert-butyl 4-(3-nitropyrazol-1-yl)piperidine-1-carboxylate tert-butyl 4-(3-nitropyrazol-l-yl)piperidine-l-carboxylate SCHEMBL1559337

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
74.96
TPSA
90.5

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
1.7
Consensus LogP
2.05
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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