N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

C18H16FN3O2 — CID 112806377

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2nn(-c3ccccc3)cc2O)ccc1F
InChIInChI=1S/C18H16FN3O2/c1-12-9-13(7-8-15(12)19)10-20-18(24)17-16(23)11-22(21-17)14-5-3-2-4-6-14/h2-9,11,23H,10H2,1H3,(H,20,24)
InChIKeyDGZHZWDTICXGCG-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.96
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 112806377) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID112806377
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2nn(-c3ccccc3)cc2O)ccc1F
InChIInChI=1S/C18H16FN3O2/c1-12-9-13(7-8-15(12)19)10-20-18(24)17-16(23)11-22(21-17)14-5-3-2-4-6-14/h2-9,11,23H,10H2,1H3,(H,20,24)
InChIKeyDGZHZWDTICXGCG-UHFFFAOYSA-N
XLogP2.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-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

(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 33305743
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 54682023
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
4-hydroxy-N'-[2-[(4-methylphenyl)methylsulfanyl]acetyl]-1-phenylpyrazole-3-carbohydrazide
CID 46657426
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 71898477
N-[[3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 155943122
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 112806377) is N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is Cc1cc(CNC(=O)c2nn(-c3ccccc3)cc2O)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is DGZHZWDTICXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-9-13(7-8-15(12)19)10-20-18(24)17-16(23)11-22(21-17)14-5-3-2-4-6-14/h2-9,11,23H,10H2,1H3,(H,20,24).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112806377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).