N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide

C20H20FN3O2 — CID 19409659

IUPACN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C20H20FN3O2/c1-13-19(22-20(25)16-6-10-18(26-3)11-7-16)14(2)24(23-13)12-15-4-8-17(21)9-5-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyGGLYNDIOFUKRDR-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.95
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide

N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide (PubChem CID 19409659) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
PubChem CID19409659
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C20H20FN3O2/c1-13-19(22-20(25)16-6-10-18(26-3)11-7-16)14(2)24(23-13)12-15-4-8-17(21)9-5-15/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyGGLYNDIOFUKRDR-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19408479
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19409797
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 29097450
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-methoxyphenyl)thiourea
CID 19677121
4-fluoro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19405943
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19407906
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide (CID 19409659) is N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide?
The InChIKey is GGLYNDIOFUKRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-19(22-20(25)16-6-10-18(26-3)11-7-16)14(2)24(23-13)12-15-4-8-17(21)9-5-15/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide?
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide has a molecular weight of 353.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 19409659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).