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CAS 1211589-62-6 4-(4-nitro-1H-pyrazol-1-yl)Piperidine molecular structure lightbox
CAS RN: 1211589-62-6

4-(4-nitro-1H-pyrazol-1-yl)Piperidine

  • Product code: SSC-022873
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211589-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry

1211589-62-6 / 4-(4-nitropyrazol-1-yl)piperidine

4-(4-Nitro-1H-pyrazol-1-yl)piperidine | 4-(4-nitropyrazol-1-yl)piperidine | MFCD16076669

Standard CAS: 1211589-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211589-62-6
Multi CAS
No
Molecular Formula
C8H12N4O2
Molecular Weight
196.210000
Exact Mass
196.096026
SMILES
C1CNCCC1N2C=C(C=N2)[N+](=O)[O-]
InChI
InChI=1S/C8H12N4O2/c13-12(14)8-5-10-11(6-8)7-1-3-9-4-2-7/h5-7,9H,1-4H2
InChIKey
NGFBJMZEUWOGNH-UHFFFAOYSA-N
Synonyms
4-(4-Nitro-1H-pyrazol-1-yl)piperidine 4-(4-nitropyrazol-1-yl)piperidine MFCD16076669 SCHEMBL15709846 NGFBJMZEUWOGNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.02
TPSA
72.99

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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