3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide

C22H20FN5O — CID 2999040

IUPAC3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O/c23-18-9-7-17(8-10-18)21-20(15-28(26-21)19-5-2-1-3-6-19)22(29)25-11-4-13-27-14-12-24-16-27/h1-3,5-10,12,14-16H,4,11,13H2,(H,25,29)
InChIKeyYWHQYJNDMHIWAA-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.69
Rot. Bonds7

About 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2999040) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2999040
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O/c23-18-9-7-17(8-10-18)21-20(15-28(26-21)19-5-2-1-3-6-19)22(29)25-11-4-13-27-14-12-24-16-27/h1-3,5-10,12,14-16H,4,11,13H2,(H,25,29)
InChIKeyYWHQYJNDMHIWAA-UHFFFAOYSA-N
XLogP3.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-carbamimidoylphenyl)-N-[4-(1H-imidazol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 18549509
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Takeda103A
CID 11155477
N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
4-(azetidine-1-carbonyl)-N-[2-[1-(2-methoxyethyl)-4-phenylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288531
4-N-cyclopentyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288554
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288555

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide (CID 2999040) is 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide is O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is YWHQYJNDMHIWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-18-9-7-17(8-10-18)21-20(15-28(26-21)19-5-2-1-3-6-19)22(29)25-11-4-13-27-14-12-24-16-27/h1-3,5-10,12,14-16H,4,11,13H2,(H,25,29).
What are the key properties of 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2999040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).