1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide

C17H14FN3O2 — CID 110910871

IUPAC1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C17H14FN3O2/c18-14-6-1-2-7-16(14)21-9-8-15(20-21)17(23)19-13-5-3-4-12(10-13)11-22/h1-10,22H,11H2,(H,19,23)
InChIKeyJVUWITLZTZFLKL-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.76
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 110910871) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
PubChem CID110910871
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C17H14FN3O2/c18-14-6-1-2-7-16(14)21-9-8-15(20-21)17(23)19-13-5-3-4-12(10-13)11-22/h1-10,22H,11H2,(H,19,23)
InChIKeyJVUWITLZTZFLKL-UHFFFAOYSA-N
XLogP2.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N-(2-methyl-1H-indol-5-yl)pyrazole-3-carboxamide
CID 78866415
1-(2-fluorophenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
CID 86980706
N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 78868746
N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651530
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-(2-fluorophenyl)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyrazole-3-carboxamide
CID 99586713
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60610195
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55868469

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide (CID 110910871) is 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide is O=C(Nc1cccc(CO)c1)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is JVUWITLZTZFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-6-1-2-7-16(14)21-9-8-15(20-21)17(23)19-13-5-3-4-12(10-13)11-22/h1-10,22H,11H2,(H,19,23).
What are the key properties of 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110910871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).