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CAS 1150164-05-8 Methyl5-cyclopropylpyrazole-4-carboxylate molecular structure lightbox
CAS RN: 1150164-05-8

Methyl5-cyclopropylpyrazole-4-carboxylate

  • Product code: SSC-014727
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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: 5g
  • 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 1150164-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1150164-05-8 / methyl 5-cyclopropyl-1H-pyrazole-4-carboxylate

Methyl 5-cyclopropyl-1H-pyrazole-4-carboxylate | METHYL 5-CYCLOPROPYLPYRAZOLE-4-CARBOXYLATE | methyl 3-cyclopropyl-1h-pyrazole-4-carboxylate

Standard CAS: 1150164-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150164-05-8
Multi CAS
Yes
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
COC(=O)C1=C(NN=C1)C2CC2
InChI
InChI=1S/C8H10N2O2/c1-12-8(11)6-4-9-10-7(6)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChIKey
WNRWNMMDWGFLJY-UHFFFAOYSA-N
Synonyms
Methyl 5-cyclopropyl-1H-pyrazole-4-carboxylate METHYL 5-CYCLOPROPYLPYRAZOLE-4-CARBOXYLATE methyl 3-cyclopropyl-1h-pyrazole-4-carboxylate MFCD11855888 1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, methyl ester

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.9
TPSA
54.98

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
0.6
Consensus LogP
0.87
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-2.97

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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