ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate

C19H18N2O2 — CID 744754

IUPACethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)17-14(2)21(16-12-8-5-9-13-16)20-18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
InChIKeyVCPCQJHHHVITQW-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.02
Rot. Bonds4

About ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate

ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate (PubChem CID 744754) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate
PubChem CID744754
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Nameethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H18N2O2/c1-3-23-19(22)17-14(2)21(16-12-8-5-9-13-16)20-18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3
InChIKeyVCPCQJHHHVITQW-UHFFFAOYSA-N
XLogP4.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 656964
1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656966
1,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 3801066
5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 673680
ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 753856
3,6-dimethyl-1-phenylpyrano[4,3-c]pyrazol-4(1H)-one
CID 648662
ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
[2-(N-methylanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 3940515
ethyl 1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 20855126
ethyl 3-amino-1-isobutyryl-5-phenyl-1H-pyrazole-4-carboxylate
CID 709310
ethyl 3-amino-1-(2,2-dimethylpropanoyl)-5-phenyl-1H-pyrazole-4-carboxylate
CID 971042

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate (CID 744754) is ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C.
What is the InChIKey of ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is VCPCQJHHHVITQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-23-19(22)17-14(2)21(16-12-8-5-9-13-16)20-18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 744754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).