5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile

C18H15FN4O — CID 121305829

IUPAC5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nn(CC(O)c2ccccc2)c1N
InChIInChI=1S/C18H15FN4O/c19-14-8-6-13(7-9-14)17-15(10-20)18(21)23(22-17)11-16(24)12-4-2-1-3-5-12/h1-9,16,24H,11,21H2
InChIKeyWLGMYPUNYQXMLQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.88
Rot. Bonds4

About 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile

5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile (PubChem CID 121305829) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile
PubChem CID121305829
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nn(CC(O)c2ccccc2)c1N
InChIInChI=1S/C18H15FN4O/c19-14-8-6-13(7-9-14)17-15(10-20)18(21)23(22-17)11-16(24)12-4-2-1-3-5-12/h1-9,16,24H,11,21H2
InChIKeyWLGMYPUNYQXMLQ-UHFFFAOYSA-N
XLogP2.88
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-Cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea
CID 16747980
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 137637081
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 137645323
5-amino-3-[(Z)-1-cyano-2-(2-fluorophenyl)ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 5286134
2-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51104710
2-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
CID 51105203
2-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(2-fluorophenyl)ethanol
CID 51105204
2-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-(3-fluorophenyl)ethanol
CID 51105327
2-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 53601448
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(4-fluorophenyl)urea
CID 137640030
5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
CID 5286390
2-(5-amino-3-(3-fluorophenyl)-4-(phenylethynyl)-1H-pyrazol-1-yl)ethanol
CID 70983357

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile (CID 121305829) is 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile is N#Cc1c(-c2ccc(F)cc2)nn(CC(O)c2ccccc2)c1N.
What is the InChIKey of 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
The InChIKey is WLGMYPUNYQXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-14-8-6-13(7-9-14)17-15(10-20)18(21)23(22-17)11-16(24)12-4-2-1-3-5-12/h1-9,16,24H,11,21H2.
What are the key properties of 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile has a molecular weight of 322.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorophenyl)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 121305829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).