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CAS 1017665-60-9 BUTTPARK 8811-91 molecular structure lightbox
CAS RN: 1017665-60-9

BUTTPARK 8811-91

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002749
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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 1017665-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1017665-60-9 / 1-methyl-3-(3-methylphenyl)pyrazol-5-amine

1-Methyl-3-(m-tolyl)-1H-pyrazol-5-amine | 1-methyl-3-(3-methylphenyl)-1H-pyrazol-5-amine | MFCD06637389

Standard CAS: 1017665-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017665-60-9
Multi CAS
No
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
SMILES
CC1=CC(=CC=C1)C2=NN(C(=C2)N)C
InChI
InChI=1S/C11H13N3/c1-8-4-3-5-9(6-8)10-7-11(12)14(2)13-10/h3-7H,12H2,1-2H3
InChIKey
XVOOZJIULYUGJX-UHFFFAOYSA-N
Synonyms
1-Methyl-3-(m-tolyl)-1H-pyrazol-5-amine 1-methyl-3-(3-methylphenyl)-1H-pyrazol-5-amine MFCD06637389 2-methyl-5-(3-methylphenyl)pyrazol-3-amine BUTTPARK 88\11-91

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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