CAS RN: 1017665-59-6
2-Methyl-5-(2-Methylphenyl)pyrazol-3-aMine
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.20250713 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1017665-59-6
- Purity/Analytical Methods: >99.0%
1017665-59-6 / 1-methyl-3-(2-methylphenyl)pyrazol-5-amine
2-methyl-5-(2-methylphenyl)pyrazol-3-amine | 1-Methyl-3-(o-tolyl)-1H-pyrazol-5-amine | 1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-amine
Basic Information
CAS
1017665-59-6
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CC1=CC=CC=C1C2=NN(C(=C2)N)C
InChI
InChI=1S/C11H13N3/c1-8-5-3-4-6-9(8)10-7-11(12)14(2)13-10/h3-7H,12H2,1-2H3
InChIKey
CEOIFZZTYWRZLD-UHFFFAOYSA-N
Synonyms
2-methyl-5-(2-methylphenyl)pyrazol-3-amine
1-Methyl-3-(o-tolyl)-1H-pyrazol-5-amine
1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-amine
MFCD06637387
SCHEMBL13974491
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.79
TPSA
43.84
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.46
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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- CAS RN: 1017777-45-5
- Product Code: starshine_CAS1017777-45-5
- Purity/Analytical method: >99.0%
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