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CAS 1246471-38-4 Ethyl 3-Cyclopropylpyrazole-4-carboxylate molecular structure lightbox
CAS RN: 1246471-38-4

Ethyl 3-Cyclopropylpyrazole-4-carboxylate

  • Product code: SSC-028671
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1246471-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

1246471-38-4 / ethyl 5-cyclopropyl-1H-pyrazole-4-carboxylate

Standard CAS: 1246471-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246471-38-4
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
SMILES
CCOC(=O)C1=C(NN=C1)C2CC2
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-5-10-11-8(7)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChIKey
HGCJVGPZFAUPOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.52
TPSA
54.98

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.78

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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