CAS RN: 876728-39-1
(1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)METHYLAMINE
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.20260510 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS876728-39-1
- Purity/Analytical Methods: >99.0%
876728-39-1 / (1-methyl-3-phenylpyrazol-5-yl)methanamine
Basic Information
CAS
876728-39-1
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
InChI
InChI=1S/C11H13N3/c1-14-10(8-12)7-11(13-14)9-5-3-2-4-6-9/h2-7H,8,12H2,1H3
InChIKey
XAVNJYHSYZUYFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.54
TPSA
43.84
LogP / Solubility
WLOGP
1.55
MLOGP
1.36
XLogP3
0.8
Consensus LogP
1.24
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
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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