1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide

C18H17N3O2 — CID 154079523

IUPAC1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(Cn2ccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-16-9-7-14(8-10-16)13-21-12-11-17(20-21)18(22)19-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,22)
InChIKeyWVGCOUMTLRBGHC-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.19
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide

1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide (PubChem CID 154079523) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
PubChem CID154079523
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(Cn2ccc(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-16-9-7-14(8-10-16)13-21-12-11-17(20-21)18(22)19-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,22)
InChIKeyWVGCOUMTLRBGHC-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
CID 136533551
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273300
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
1-[(4-methoxyphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19273060
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
1-[(4-chlorophenyl)methyl]-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyrazole-3-carboxamide
CID 1027705
N-(1-benzylpyrazol-4-yl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide
CID 19397564

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide (CID 154079523) is 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide is COc1ccc(Cn2ccc(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide?
The InChIKey is WVGCOUMTLRBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-16-9-7-14(8-10-16)13-21-12-11-17(20-21)18(22)19-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,22).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 154079523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).