CAS RN: 136678-94-9
1H-Pyrazole-3-carboxamide,N,1,5-trimethyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250828 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS136678-94-9
- Purity/Analytical Methods: >99.0%
136678-94-9 / N,1,5-trimethylpyrazole-3-carboxamide
Basic Information
CAS
136678-94-9
Multi CAS
No
Molecular Formula
C7H11N3O
Molecular Weight
153.180000
Exact Mass
153.090212
SMILES
CC1=CC(=NN1C)C(=O)NC
InChI
InChI=1S/C7H11N3O/c1-5-4-6(7(11)8-2)9-10(5)3/h4H,1-3H3,(H,8,11)
InChIKey
VOHYIZCWGLXIRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.34
TPSA
46.92
LogP / Solubility
WLOGP
0.09
MLOGP
0.07
XLogP3
0.2
Consensus LogP
0.12
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-3.59
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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