CAS RN: 1818341-66-0
1H-Pyrazole-4-carboxylic acid, 1-cyclopropyl-, methyl ester
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.20251209 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1818341-66-0
- Purity/Analytical Methods: >99.0%
1818341-66-0 / methyl 1-cyclopropylpyrazole-4-carboxylate
Basic Information
CAS
1818341-66-0
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
COC(=O)C1=CN(N=C1)C2CC2
InChI
InChI=1S/C8H10N2O2/c1-12-8(11)6-4-9-10(5-6)7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKey
QCEXMDITYQRSQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
41.84
TPSA
44.12
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.02
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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