5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide

C19H18FN3O2 — CID 111102820

IUPAC5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-8-6-14(7-9-15)18-17(12-22-23-18)19(25)21-11-16(24)10-13-4-2-1-3-5-13/h1-9,12,16,24H,10-11H2,(H,21,25)(H,22,23)
InChIKeyPUGSWCALWMJKDS-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.55
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 111102820) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID111102820
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-8-6-14(7-9-15)18-17(12-22-23-18)19(25)21-11-16(24)10-13-4-2-1-3-5-13/h1-9,12,16,24H,10-11H2,(H,21,25)(H,22,23)
InChIKeyPUGSWCALWMJKDS-UHFFFAOYSA-N
XLogP2.55
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 166201296
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102632
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
5-(4-fluorophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 51647857
5-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 24640449
5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide (CID 111102820) is 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide is O=C(NCC(O)Cc1ccccc1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PUGSWCALWMJKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-8-6-14(7-9-15)18-17(12-22-23-18)19(25)21-11-16(24)10-13-4-2-1-3-5-13/h1-9,12,16,24H,10-11H2,(H,21,25)(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 111102820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).