3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide

C21H21ClFN3O — CID 7347444

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(F)cc1
InChIInChI=1S/C21H21ClFN3O/c1-13(2)14(3)24-21(27)20-12-19(17-6-4-5-7-18(17)22)25-26(20)16-10-8-15(23)9-11-16/h4-14H,1-3H3,(H,24,27)/t14-/m1/s1
InChIKeyFOQGTEKDQTUFNS-CQSZACIVSA-N
MW385.87 g/mol
LogP5.11
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide (PubChem CID 7347444) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
PubChem CID7347444
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(F)cc1
InChIInChI=1S/C21H21ClFN3O/c1-13(2)14(3)24-21(27)20-12-19(17-6-4-5-7-18(17)22)25-26(20)16-10-8-15(23)9-11-16/h4-14H,1-3H3,(H,24,27)/t14-/m1/s1
InChIKeyFOQGTEKDQTUFNS-CQSZACIVSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.87
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 4587400
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
1-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7495251
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 3453937
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373
1-(3-chlorophenyl)-3-(2-fluorophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 4006120
N-[(2R)-3-methylbutan-2-yl]-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 7397683
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 5026925
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide (CID 7347444) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide is CC(C)[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide?
The InChIKey is FOQGTEKDQTUFNS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c1-13(2)14(3)24-21(27)20-12-19(17-6-4-5-7-18(17)22)25-26(20)16-10-8-15(23)9-11-16/h4-14H,1-3H3,(H,24,27)/t14-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide has a molecular weight of 385.87 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 7347444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).