2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C19H18ClN3O3 — CID 138993021

IUPAC2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCOc1cc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C19H18ClN3O3/c1-12-9-18(23(22-12)13-7-5-4-6-8-13)21-19(24)14-10-16(25-2)17(26-3)11-15(14)20/h4-11H,1-3H3,(H,21,24)
InChIKeyANJHSFWHOLBLSF-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.10
Rot. Bonds5

About 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 138993021) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID138993021
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCOc1cc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C19H18ClN3O3/c1-12-9-18(23(22-12)13-7-5-4-6-8-13)21-19(24)14-10-16(25-2)17(26-3)11-15(14)20/h4-11H,1-3H3,(H,21,24)
InChIKeyANJHSFWHOLBLSF-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 139003737
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43036788
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 138993021) is 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is COc1cc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1OC.
What is the InChIKey of 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is ANJHSFWHOLBLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-9-18(23(22-12)13-7-5-4-6-8-13)21-19(24)14-10-16(25-2)17(26-3)11-15(14)20/h4-11H,1-3H3,(H,21,24).
What are the key properties of 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 371.82 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 138993021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).