CAS RN: 1232892-83-9
2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenamine
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.20251202 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1232892-83-9
- Purity/Analytical Methods: >99.0%
1232892-83-9 / 2-methyl-5-(5-methyl-1H-pyrazol-3-yl)aniline
Basic Information
CAS
1232892-83-9
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CC1=C(C=C(C=C1)C2=NNC(=C2)C)N
InChI
InChI=1S/C11H13N3/c1-7-3-4-9(6-10(7)12)11-5-8(2)13-14-11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
QYFQEUVMHBYKFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.91
TPSA
54.7
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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