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

C18H15FN4O2 — CID 38764433

IUPACN-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H15FN4O2/c1-12(24)20-14-3-2-4-15(11-14)21-18(25)17-9-10-23(22-17)16-7-5-13(19)6-8-16/h2-11H,1H3,(H,20,24)(H,21,25)
InChIKeyVOBDIZUCCIOFAW-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.22
Rot. Bonds4

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

N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38764433) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38764433
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H15FN4O2/c1-12(24)20-14-3-2-4-15(11-14)21-18(25)17-9-10-23(22-17)16-7-5-13(19)6-8-16/h2-11H,1H3,(H,20,24)(H,21,25)
InChIKeyVOBDIZUCCIOFAW-UHFFFAOYSA-N
XLogP3.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 38815516
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-3-carboxamide
CID 43071783
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38735899
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38802898
N-(3-acetamidophenyl)-5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 110372615
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide
CID 71845909
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 49168620

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38764433) is N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is VOBDIZUCCIOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-12(24)20-14-3-2-4-15(11-14)21-18(25)17-9-10-23(22-17)16-7-5-13(19)6-8-16/h2-11H,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38764433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).