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

C17H13N2O2- — CID 4739263

IUPAC5-methyl-1,3-diphenylpyrazole-4-carboxylate
SMILESCc1c(C(=O)[O-])c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)/p-1
InChIKeyFWIYNXGMTSTQBJ-UHFFFAOYSA-M
MW277.30 g/mol
LogP2.21
Rot. Bonds3

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

5-methyl-1,3-diphenylpyrazole-4-carboxylate (PubChem CID 4739263) has the molecular formula C17H13N2O2- and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-methyl-1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name5-methyl-1,3-diphenylpyrazole-4-carboxylate
PubChem CID4739263
Molecular FormulaC17H13N2O2-
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name5-methyl-1,3-diphenylpyrazole-4-carboxylate
SMILESCc1c(C(=O)[O-])c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)/p-1
InChIKeyFWIYNXGMTSTQBJ-UHFFFAOYSA-M
XLogP2.21
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of 5-methyl-1,3-diphenylpyrazole-4-carboxylate (CID 4739263) is 5-methyl-1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for 5-methyl-1,3-diphenylpyrazole-4-carboxylate is Cc1c(C(=O)[O-])c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is FWIYNXGMTSTQBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)/p-1.
What are the key properties of 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
5-methyl-1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 277.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 4739263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).