ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C19H19FN4O2 — CID 143258587

IUPACethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCC.NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN4O2.C2H6/c18-12-8-6-11(7-9-12)17(24)21-16-14(15(19)23)10-20-22(16)13-4-2-1-3-5-13;1-2/h1-10H,(H2,19,23)(H,21,24);1-2H3
InChIKeyIJWSTHSZANREDP-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.39
Rot. Bonds4

About ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 143258587) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Nameethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID143258587
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Nameethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCC.NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN4O2.C2H6/c18-12-8-6-11(7-9-12)17(24)21-16-14(15(19)23)10-20-22(16)13-4-2-1-3-5-13;1-2/h1-10H,(H2,19,23)(H,21,24);1-2H3
InChIKeyIJWSTHSZANREDP-UHFFFAOYSA-N
XLogP3.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
N-(4-carbamoyl-1-phenylpyrazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 121464827
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
4-(difluoromethylsulfanyl)-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468500
N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 1068289
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 143258587) is ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is CC.NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IJWSTHSZANREDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2.C2H6/c18-12-8-6-11(7-9-12)17(24)21-16-14(15(19)23)10-20-22(16)13-4-2-1-3-5-13;1-2/h1-10H,(H2,19,23)(H,21,24);1-2H3.
What are the key properties of ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 143258587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).