ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate

C10H14N2O2 — CID 58861331

IUPACethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CC2)c1C
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)9-6-11-12(7(9)2)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyMAXWAVIQFILRLR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.70
Rot. Bonds3

About ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate

ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate (PubChem CID 58861331) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
PubChem CID58861331
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CC2)c1C
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)9-6-11-12(7(9)2)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyMAXWAVIQFILRLR-UHFFFAOYSA-N
XLogP1.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
butyl 1-(4-ethoxycarbonylcyclohexyl)-5-methylpyrazole-4-carboxylate
CID 118398966
ethyl 5-arsanyl-1-cyclohexylpyrazole-4-carboxylate
CID 173179527
ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
CID 54593650
benzyl 1-(4-acetyl-4-methylcyclohexyl)-5-methylpyrazole-4-carboxylate
CID 118392135
ethyl 1-(2-hydroxycyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 63234906
diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
ethyl 5-amino-1-[1-[(2R)-pentan-2-yl]piperidin-4-yl]pyrazole-4-carboxylate
CID 124742722
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
benzyl 1-(4-ethoxycarbonylcyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 118383601
ethyl 7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136688030
ethyl (7S)-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 118700955

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate (CID 58861331) is ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C2CC2)c1C.
What is the InChIKey of ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate?
The InChIKey is MAXWAVIQFILRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-10(13)9-6-11-12(7(9)2)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate?
ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 58861331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).