1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide

C12H12FN3O2 — CID 78869937

IUPAC1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2/c13-9-3-1-2-4-11(9)16-7-5-10(15-16)12(18)14-6-8-17/h1-5,7,17H,6,8H2,(H,14,18)
InChIKeyUKQYIGVXGXWJKY-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.73
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 78869937) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID78869937
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2/c13-9-3-1-2-4-11(9)16-7-5-10(15-16)12(18)14-6-8-17/h1-5,7,17H,6,8H2,(H,14,18)
InChIKeyUKQYIGVXGXWJKY-UHFFFAOYSA-N
XLogP0.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60614966
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
CID 110910871
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
1-(2-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 55841366
2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid
CID 119191859

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 78869937) is 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide is O=C(NCCO)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is UKQYIGVXGXWJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c13-9-3-1-2-4-11(9)16-7-5-10(15-16)12(18)14-6-8-17/h1-5,7,17H,6,8H2,(H,14,18).
What are the key properties of 1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 0.73, 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-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 78869937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).