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CAS 1291177-21-3 Methyl 4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxylate molecular structure lightbox
CAS RN: 1291177-21-3

Methyl 4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxylate

  • Product code: SSC-036299
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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 1291177-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1291177-21-3 / methyl 4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxylate

Standard CAS: 1291177-21-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1291177-21-3
Multi CAS
No
Molecular Formula
C8H9ClN2O2
Molecular Weight
200.620000
Exact Mass
200.035255
SMILES
COC(=O)C1=NNC(=C1Cl)C2CC2
InChI
InChI=1S/C8H9ClN2O2/c1-13-8(12)7-5(9)6(10-11-7)4-2-3-4/h4H,2-3H2,1H3,(H,10,11)
InChIKey
OOKFUXXHWSSFEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.91
TPSA
54.98

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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