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CAS 3920-39-6 1-Methyl-4-nitro-1H-pyrazole-3-carboxamide molecular structure lightbox
CAS RN: 3920-39-6

1-Methyl-4-nitro-1H-pyrazole-3-carboxamide

  • Product code: SSC-146863
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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 3920-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

3920-39-6 / 1-methyl-4-nitropyrazole-3-carboxamide

Standard CAS: 3920-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3920-39-6
Multi CAS
No
Molecular Formula
C5H6N4O3
Molecular Weight
170.130000
Exact Mass
170.043990
InChI
InChI=1S/C5H6N4O3/c1-8-2-3(9(11)12)4(7-8)5(6)10/h2H,1H3,(H2,6,10)
InChIKey
YVMXSLMGSDQURV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
38.38
TPSA
104.05

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.51
XLogP3
-0.7
Consensus LogP
-0.59
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

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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