5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide

C17H18FN5O — CID 75378535

IUPAC5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C17H18FN5O/c18-15-6-2-1-5-13(15)16-14(11-21-22-16)17(24)20-7-3-4-9-23-10-8-19-12-23/h1-2,5-6,8,10-12H,3-4,7,9H2,(H,20,24)(H,21,22)
InChIKeyNNPNTPKPENJONK-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.62
Rot. Bonds7

About 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide (PubChem CID 75378535) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
PubChem CID75378535
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C17H18FN5O/c18-15-6-2-1-5-13(15)16-14(11-21-22-16)17(24)20-7-3-4-9-23-10-8-19-12-23/h1-2,5-6,8,10-12H,3-4,7,9H2,(H,20,24)(H,21,22)
InChIKeyNNPNTPKPENJONK-UHFFFAOYSA-N
XLogP2.62
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
N-(2-amino-2-methylpropyl)-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 119628857
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
N-(4-imidazol-1-ylbutyl)-1H-pyrrole-2-carboxamide
CID 110445327

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide (CID 75378535) is 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide is O=C(NCCCCn1ccnc1)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NNPNTPKPENJONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-15-6-2-1-5-13(15)16-14(11-21-22-16)17(24)20-7-3-4-9-23-10-8-19-12-23/h1-2,5-6,8,10-12H,3-4,7,9H2,(H,20,24)(H,21,22).
What are the key properties of 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 75378535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).