2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

C20H21N3O3 — CID 19400990

IUPAC2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)c(OC)c1
InChIInChI=1S/C20H21N3O3/c1-14-5-4-6-15(11-14)13-23-10-9-19(22-23)21-20(24)17-8-7-16(25-2)12-18(17)26-3/h4-12H,13H2,1-3H3,(H,21,22,24)
InChIKeyOOASRHCXDCKIDI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.51
Rot. Bonds6

About 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19400990) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19400990
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)c(OC)c1
InChIInChI=1S/C20H21N3O3/c1-14-5-4-6-15(11-14)13-23-10-9-19(22-23)21-20(24)17-8-7-16(25-2)12-18(17)26-3/h4-12H,13H2,1-3H3,(H,21,22,24)
InChIKeyOOASRHCXDCKIDI-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403231
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19285749
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400902
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403011
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
5-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19404949
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19276281

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19400990) is 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is OOASRHCXDCKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-5-4-6-15(11-14)13-23-10-9-19(22-23)21-20(24)17-8-7-16(25-2)12-18(17)26-3/h4-12H,13H2,1-3H3,(H,21,22,24).
What are the key properties of 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19400990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).