![CAS 1295541-87-5 1H-Imidazole-4-carboxamide, 5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1295541-87-5.gif)
CAS RN: 1295541-87-5
1H-Imidazole-4-carboxamide, 5-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]-
Product Availability
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7 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 100mg | Out of stock | Inquiry | |
| Batchno.20260106 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250604 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 250mg | Out of stock | Inquiry | |
| Batchno.20250218 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250528 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250524 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1295541-87-5
- Purity/Analytical Methods: >99.0%
1295541-87-5 / 5-methyl-N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
Basic Information
CAS
1295541-87-5
Multi CAS
No
Molecular Formula
C17H16F3N5O
Molecular Weight
363.340000
Exact Mass
363.130695
SMILES
CC1=C(N=CN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=NN(C=C3)C
InChI
InChI=1S/C17H16F3N5O/c1-11-15(16(26)22-14-6-7-24(2)23-14)21-10-25(11)9-12-4-3-5-13(8-12)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,22,23,26)
InChIKey
DUTKICDSXNUMBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
88.67
TPSA
64.74
LogP / Solubility
WLOGP
3.24
MLOGP
2.87
XLogP3
2.7
Consensus LogP
2.94
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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