5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

C24H25FN4O2 — CID 112814315

IUPAC5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C24H25FN4O2/c1-2-28(16-22(30)26-14-17-8-12-19(25)13-9-17)24(31)21-15-27-29(23(21)18-10-11-18)20-6-4-3-5-7-20/h3-9,12-13,15,18H,2,10-11,14,16H2,1H3,(H,26,30)
InChIKeyTUVCLYZDYWPCEC-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.67
Rot. Bonds8

About 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 112814315) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID112814315
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C24H25FN4O2/c1-2-28(16-22(30)26-14-17-8-12-19(25)13-9-17)24(31)21-15-27-29(23(21)18-10-11-18)20-6-4-3-5-7-20/h3-9,12-13,15,18H,2,10-11,14,16H2,1H3,(H,26,30)
InChIKeyTUVCLYZDYWPCEC-UHFFFAOYSA-N
XLogP3.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 112817431
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ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
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3-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-methylindole-2-carboxamide
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2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
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3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17489195
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 24509742
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide (CID 112814315) is 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is TUVCLYZDYWPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-2-28(16-22(30)26-14-17-8-12-19(25)13-9-17)24(31)21-15-27-29(23(21)18-10-11-18)20-6-4-3-5-7-20/h3-9,12-13,15,18H,2,10-11,14,16H2,1H3,(H,26,30).
What are the key properties of 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112814315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).