3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide

C18H18FN5O — CID 95572970

IUPAC3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(N[C@H]1CCC[C@H]1n1ccnc1)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C18H18FN5O/c19-14-11-13(5-6-16(14)24-9-2-7-21-24)18(25)22-15-3-1-4-17(15)23-10-8-20-12-23/h2,5-12,15,17H,1,3-4H2,(H,22,25)/t15-,17+/m0/s1
InChIKeyGMISOSBXGNMKGJ-DOTOQJQBSA-N
MW339.37 g/mol
LogP2.73
Rot. Bonds4

About 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide

3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide (PubChem CID 95572970) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
PubChem CID95572970
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(N[C@H]1CCC[C@H]1n1ccnc1)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C18H18FN5O/c19-14-11-13(5-6-16(14)24-9-2-7-21-24)18(25)22-15-3-1-4-17(15)23-10-8-20-12-23/h2,5-12,15,17H,1,3-4H2,(H,22,25)/t15-,17+/m0/s1
InChIKeyGMISOSBXGNMKGJ-DOTOQJQBSA-N
XLogP2.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-pyrazol-1-ylphenyl)-3-[(1R,2S)-2-imidazol-1-ylcyclopentyl]urea
CID 96529213
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 96525218
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463
N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-fluoro-4-pyrazol-1-ylbenzamide
CID 166350702
2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 95980741
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]pyridazine-4-carboxamide
CID 110127815
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 79704385
N-(2-imidazol-1-ylcyclopentyl)-3-methylpyrrolidine-3-carboxamide
CID 63140426
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide (CID 95572970) is 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide is O=C(N[C@H]1CCC[C@H]1n1ccnc1)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is GMISOSBXGNMKGJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-11-13(5-6-16(14)24-9-2-7-21-24)18(25)22-15-3-1-4-17(15)23-10-8-20-12-23/h2,5-12,15,17H,1,3-4H2,(H,22,25)/t15-,17+/m0/s1.
What are the key properties of 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide?
3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 95572970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).