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CAS 850380-23-3 1-M-tolyl-1H-pyrazole molecular structure lightbox
CAS RN: 850380-23-3

1-M-tolyl-1H-pyrazole

  • Product code: SSC-192947
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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 850380-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

850380-23-3 / 1-(3-methylphenyl)pyrazole

Standard CAS: 850380-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850380-23-3
Multi CAS
No
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
InChI
InChI=1S/C10H10N2/c1-9-4-2-5-10(8-9)12-7-3-6-11-12/h2-8H,1H3
InChIKey
QGIIQXAIUSWPDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.3
TPSA
17.82

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2.6
Consensus LogP
2.23
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.14

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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