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CAS 1093060-48-0 4-METHYL-5-M-TOLYL-2H-PYRAZOL-3-YLAMINE molecular structure lightbox
CAS RN: 1093060-48-0

4-METHYL-5-M-TOLYL-2H-PYRAZOL-3-YLAMINE

  • Product code: SSC-010557
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1093060-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1093060-48-0 / 4-methyl-5-(3-methylphenyl)-1H-pyrazol-3-amine

4-Methyl-5-m-tolyl-2H-pyrazol-3-ylamine | 4-methyl-5-(3-methylphenyl)-1H-pyrazol-3-amine | MFCD08445794

Standard CAS: 1093060-48-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1093060-48-0
Multi CAS
Yes
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CC1=CC(=CC=C1)C2=C(C(=NN2)N)C
InChI
InChI=1S/C11H13N3/c1-7-4-3-5-9(6-7)10-8(2)11(12)14-13-10/h3-6H,1-2H3,(H3,12,13,14)
InChIKey
JHXUWBQDUNNEEH-UHFFFAOYSA-N
Synonyms
4-Methyl-5-m-tolyl-2H-pyrazol-3-ylamine 4-methyl-5-(3-methylphenyl)-1H-pyrazol-3-amine MFCD08445794 4-METHYL-3-(3-METHYLPHENYL)-1H-PYRAZOL-5-AMINE 4-Methyl-5-(m-tolyl)-1,2-dihydro-3h-pyrazol-3-imine

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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