3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide

C22H21FN4O2 — CID 9452252

IUPAC3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H21FN4O2/c1-26(14-21(28)24-17-11-9-16(23)10-12-17)22(29)20-13-19(15-7-8-15)25-27(20)18-5-3-2-4-6-18/h2-6,9-13,15H,7-8,14H2,1H3,(H,24,28)
InChIKeyLAPCMJHYZNHBSH-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.60
Rot. Bonds6

About 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide (PubChem CID 9452252) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
PubChem CID9452252
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H21FN4O2/c1-26(14-21(28)24-17-11-9-16(23)10-12-17)22(29)20-13-19(15-7-8-15)25-27(20)18-5-3-2-4-6-18/h2-6,9-13,15H,7-8,14H2,1H3,(H,24,28)
InChIKeyLAPCMJHYZNHBSH-UHFFFAOYSA-N
XLogP3.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9205889
methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate
CID 37416253
3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82376267
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240
(4-fluorophenyl) 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 16557038
3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 16546557
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 27801844
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 27740069

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide (CID 9452252) is 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is LAPCMJHYZNHBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-26(14-21(28)24-17-11-9-16(23)10-12-17)22(29)20-13-19(15-7-8-15)25-27(20)18-5-3-2-4-6-18/h2-6,9-13,15H,7-8,14H2,1H3,(H,24,28).
What are the key properties of 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 9452252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).