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CAS 10250-59-6 1H-PRRAZOLE-5-CARBOXYLIC ACID ,1,3-DIMETHYL METHYL ESTER molecular structure lightbox
CAS RN: 10250-59-6

1H-PRRAZOLE-5-CARBOXYLIC ACID ,1,3-DIMETHYL METHYL ESTER

  • Product code: SSC-003746
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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: 10g
  • 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 10250-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

10250-59-6 / methyl 2,5-dimethylpyrazole-3-carboxylate

methyl 1,3-dimethyl-1H-pyrazole-5-carboxylate | DTXSID50480979 | RefChem:353221

Standard CAS: 10250-59-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10250-59-6
Multi CAS
No
Molecular Formula
C7H10N2O2
Molecular Weight
154.170000
Exact Mass
154.074228
SMILES
CC1=NN(C(=C1)C(=O)OC)C
InChI
InChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)9(2)8-5/h4H,1-3H3
InChIKey
KYQGPXFQWUSRMY-UHFFFAOYSA-N
Synonyms
methyl 1,3-dimethyl-1H-pyrazole-5-carboxylate DTXSID50480979 RefChem:353221 DTXCID50431789 664-309-8

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
39.28
TPSA
44.12

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
0.8
Consensus LogP
0.59
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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