CAS RN: 925646-13-5
3-nitro-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251213 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS925646-13-5
- Purity/Analytical Methods: >99.0%
925646-13-5 / 5-nitro-1H-pyrazole-3-carboxylic acid
Basic Information
CAS
925646-13-5
Multi CAS
No
Molecular Formula
C4H3N3O4
Molecular Weight
157.080000
Exact Mass
157.012356
InChI
InChI=1S/C4H3N3O4/c8-4(9)2-1-3(6-5-2)7(10)11/h1H,(H,5,6)(H,8,9)
InChIKey
HKYHBMLIEAMWRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.2
TPSA
109.12
LogP / Solubility
WLOGP
0.02
MLOGP
0.01
XLogP3
0.2
Consensus LogP
0.08
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.67
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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