N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide

C21H19FN4O2 — CID 110372615

IUPACN-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H19FN4O2/c1-13(27)23-16-3-2-4-17(11-16)24-21(28)19-12-20(14-5-6-14)26(25-19)18-9-7-15(22)8-10-18/h2-4,7-12,14H,5-6H2,1H3,(H,23,27)(H,24,28)
InChIKeyBJLCHPLMENDRAG-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.10
Rot. Bonds5

About N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 110372615) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID110372615
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H19FN4O2/c1-13(27)23-16-3-2-4-17(11-16)24-21(28)19-12-20(14-5-6-14)26(25-19)18-9-7-15(22)8-10-18/h2-4,7-12,14H,5-6H2,1H3,(H,23,27)(H,24,28)
InChIKeyBJLCHPLMENDRAG-UHFFFAOYSA-N
XLogP4.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-(3-acetamidophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 18224743
5-cyclopropyl-N-(5-methyl-1,2-oxazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 110372583
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide
CID 177251203
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-(3-acetamidophenyl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180174
1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 55952950
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
CID 142797933

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 110372615) is N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C3CC3)n(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is BJLCHPLMENDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13(27)23-16-3-2-4-17(11-16)24-21(28)19-12-20(14-5-6-14)26(25-19)18-9-7-15(22)8-10-18/h2-4,7-12,14H,5-6H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110372615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).