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CAS 1131-17-5 5-CHLORO-3-METHYL-1-PHENYLPYRAZOLE molecular structure lightbox
CAS RN: 1131-17-5

5-CHLORO-3-METHYL-1-PHENYLPYRAZOLE

  • Product code: SSC-013275
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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, 5g, 10g, 25g
  • Available purity: >97%
  • 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 1131-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1131-17-5 / 5-chloro-3-methyl-1-phenylpyrazole

5-chloro-3-methyl-1-phenyl-1H-pyrazole | RefChem:534725 | 5-Chloro-3-methyl-1-phenylpyrazole

Standard CAS: 1131-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1131-17-5
Multi CAS
No
Molecular Formula
C10H9ClN2
Molecular Weight
192.640000
Exact Mass
192.045426
SMILES
CC1=NN(C(=C1)Cl)C2=CC=CC=C2
InChI
InChI=1S/C10H9ClN2/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
ZZOWFLAMMWOSCG-UHFFFAOYSA-N
Synonyms
5-chloro-3-methyl-1-phenyl-1H-pyrazole RefChem:534725 5-Chloro-3-methyl-1-phenylpyrazole MFCD00067853 1H-Pyrazole, 5-chloro-3-methyl-1-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.31
TPSA
17.82

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
3.3
Consensus LogP
2.87
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-1.88

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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