1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide

C18H15F2N3O2 — CID 110001286

IUPAC1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccn(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N3O2/c19-13-7-4-8-14(20)17(13)23-10-9-15(22-23)18(25)21-16(11-24)12-5-2-1-3-6-12/h1-10,16,24H,11H2,(H,21,25)
InChIKeyAGQJCJVSVVCYCR-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.61
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide (PubChem CID 110001286) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide
PubChem CID110001286
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1ccn(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H15F2N3O2/c19-13-7-4-8-14(20)17(13)23-10-9-15(22-23)18(25)21-16(11-24)12-5-2-1-3-6-12/h1-10,16,24H,11H2,(H,21,25)
InChIKeyAGQJCJVSVVCYCR-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
N-[(1S)-2-hydroxy-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 95027054

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide (CID 110001286) is 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide is O=C(NC(CO)c1ccccc1)c1ccn(-c2c(F)cccc2F)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is AGQJCJVSVVCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-13-7-4-8-14(20)17(13)23-10-9-15(22-23)18(25)21-16(11-24)12-5-2-1-3-6-12/h1-10,16,24H,11H2,(H,21,25).
What are the key properties of 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(2-hydroxy-1-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110001286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).