CAS RN: 4027-55-8
5-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE
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.20250917 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4027-55-8
- Purity/Analytical Methods: >99.0%
4027-55-8 / N,5-dimethyl-1H-pyrazole-3-carboxamide
Basic Information
CAS
4027-55-8
Multi CAS
Yes
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
InChI
InChI=1S/C6H9N3O/c1-4-3-5(9-8-4)6(10)7-2/h3H,1-2H3,(H,7,10)(H,8,9)
InChIKey
IGHCHIRGHUQPAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.71
TPSA
57.78
LogP / Solubility
WLOGP
0.08
MLOGP
0.06
XLogP3
0.2
Consensus LogP
0.11
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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