CAS RN: 1239130-22-3
3-methyl-4-(3-methylphenyl)-1H-pyrazol-5-amine
- Product code: SSC-027542
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1239130-22-3 / 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
Basic Information
CAS
1239130-22-3
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CC1=CC(=CC=C1)C2=C(NN=C2N)C
InChI
InChI=1S/C11H13N3/c1-7-4-3-5-9(6-7)10-8(2)13-14-11(10)12/h3-6H,1-2H3,(H3,12,13,14)
InChIKey
TWWJNNUSSCINBQ-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
2.3
Consensus LogP
2.19
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
Leadlikeness
No
Synthetic Accessibility
1.5
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