2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide

C20H21N3O4 — CID 75467532

IUPAC2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccnn2-c2ccccc2C)cc1OC
InChIInChI=1S/C20H21N3O4/c1-13-7-5-6-8-15(13)23-19(9-10-21-23)22-20(24)14-11-17(26-3)18(27-4)12-16(14)25-2/h5-12H,1-4H3,(H,22,24)
InChIKeyDTQCJJTZXSMXTA-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.46
Rot. Bonds6

About 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide

2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (PubChem CID 75467532) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
PubChem CID75467532
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccnn2-c2ccccc2C)cc1OC
InChIInChI=1S/C20H21N3O4/c1-13-7-5-6-8-15(13)23-19(9-10-21-23)22-20(24)14-11-17(26-3)18(27-4)12-16(14)25-2/h5-12H,1-4H3,(H,22,24)
InChIKeyDTQCJJTZXSMXTA-UHFFFAOYSA-N
XLogP3.46
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylphenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70498397
2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,4,5-trimethoxybenzamide
CID 51275514
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 84598089
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide (CID 75467532) is 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is COc1cc(OC)c(C(=O)Nc2ccnn2-c2ccccc2C)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
The InChIKey is DTQCJJTZXSMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-7-5-6-8-15(13)23-19(9-10-21-23)22-20(24)14-11-17(26-3)18(27-4)12-16(14)25-2/h5-12H,1-4H3,(H,22,24).
What are the key properties of 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide?
2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 75467532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).