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CAS 97421-12-0 1-(Tert-butyl)-4-nitro-1H-pyrazole molecular structure lightbox
CAS RN: 97421-12-0

1-(Tert-butyl)-4-nitro-1H-pyrazole

  • Product code: SSC-212285
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 97421-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

97421-12-0 / 1-tert-butyl-4-nitropyrazole

Standard CAS: 97421-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97421-12-0
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
InChI
InChI=1S/C7H11N3O2/c1-7(2,3)9-5-6(4-8-9)10(11)12/h4-5H,1-3H3
InChIKey
FPKZTRHYFSEGRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.88
TPSA
60.96

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1
Consensus LogP
1.3
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.65

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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