1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide

C17H22FN3O2 — CID 111480306

IUPAC1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H22FN3O2/c1-12(22)10-17(2,3)11-19-16(23)15-7-8-21(20-15)14-6-4-5-13(18)9-14/h4-9,12,22H,10-11H2,1-3H3,(H,19,23)
InChIKeyJUJKMWKQALJRGN-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.54
Rot. Bonds6

About 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide

1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide (PubChem CID 111480306) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
PubChem CID111480306
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H22FN3O2/c1-12(22)10-17(2,3)11-19-16(23)15-7-8-21(20-15)14-6-4-5-13(18)9-14/h4-9,12,22H,10-11H2,1-3H3,(H,19,23)
InChIKeyJUJKMWKQALJRGN-UHFFFAOYSA-N
XLogP2.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)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

1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
CID 111480696
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882197
1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47859630
1-[2-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111507570
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide (CID 111480306) is 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide is CC(O)CC(C)(C)CNC(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
The InChIKey is JUJKMWKQALJRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12(22)10-17(2,3)11-19-16(23)15-7-8-21(20-15)14-6-4-5-13(18)9-14/h4-9,12,22H,10-11H2,1-3H3,(H,19,23).
What are the key properties of 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide is sourced from PubChem (CID 111480306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).