ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate

C15H16N2O2 — CID 22267745

IUPACethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1C1CC1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)14-13(11-8-9-11)10-17(16-14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3
InChIKeyHGBMZKALIHNDHY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.93
Rot. Bonds4

About ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate

ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate (PubChem CID 22267745) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
PubChem CID22267745
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nameethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1C1CC1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)14-13(11-8-9-11)10-17(16-14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3
InChIKeyHGBMZKALIHNDHY-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-phenyl-4-(trifluoromethoxy)pyrazole-3-carboxylate
CID 175260189
ethyl 1-(4-aminophenyl)-4-phenylpyrazole-3-carboxylate
CID 89330372
ethyl 4-(4-aminophenyl)-1-phenylpyrazole-3-carboxylate
CID 12886956
ethyl 4-[2-(cyclooctylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750602
ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2856808
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 3,4-dimethyl-6-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4037283
ethyl 4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-1-phenylpyrazole-3-carboxylate
CID 94130507
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
ethyl 4-(1,4-diphenylpyrazol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 167781781
4-[(4R)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 95384603
1-(4-bromophenyl)-4-[(4R)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 95384599

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate (CID 22267745) is ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)cc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate?
The InChIKey is HGBMZKALIHNDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-15(18)14-13(11-8-9-11)10-17(16-14)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3.
What are the key properties of ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate?
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 22267745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).