3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide

C19H18N4O3 — CID 136533551

IUPAC3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(Cn2ccc(NC(=O)c3cccc(C(N)=O)c3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-26-16-7-5-13(6-8-16)12-23-10-9-17(22-23)21-19(25)15-4-2-3-14(11-15)18(20)24/h2-11H,12H2,1H3,(H2,20,24)(H,21,22,25)
InChIKeyUHPCRZHFLPTHER-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.29
Rot. Bonds6

About 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide

3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide (PubChem CID 136533551) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
PubChem CID136533551
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(Cn2ccc(NC(=O)c3cccc(C(N)=O)c3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-26-16-7-5-13(6-8-16)12-23-10-9-17(22-23)21-19(25)15-4-2-3-14(11-15)18(20)24/h2-11H,12H2,1H3,(H2,20,24)(H,21,22,25)
InChIKeyUHPCRZHFLPTHER-UHFFFAOYSA-N
XLogP2.29
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19398875
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19283733
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide (CID 136533551) is 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide is COc1ccc(Cn2ccc(NC(=O)c3cccc(C(N)=O)c3)n2)cc1.
What is the InChIKey of 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide?
The InChIKey is UHPCRZHFLPTHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-16-7-5-13(6-8-16)12-23-10-9-17(22-23)21-19(25)15-4-2-3-14(11-15)18(20)24/h2-11H,12H2,1H3,(H2,20,24)(H,21,22,25).
What are the key properties of 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide?
3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 136533551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).