2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide

C21H21ClN4O2 — CID 139003737

IUPAC2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCc1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)20(27)23-15-9-10-18(22)17(12-15)21(28)24-19-11-14(3)25-26(19)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,27)(H,24,28)
InChIKeyVZLQERDCKMGGRF-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.68
Rot. Bonds5

About 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide

2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide (PubChem CID 139003737) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
PubChem CID139003737
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCc1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C21H21ClN4O2/c1-13(2)20(27)23-15-9-10-18(22)17(12-15)21(28)24-19-11-14(3)25-26(19)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,27)(H,24,28)
InChIKeyVZLQERDCKMGGRF-UHFFFAOYSA-N
XLogP4.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide
CID 167792754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide (CID 139003737) is 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide is Cc1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide?
The InChIKey is VZLQERDCKMGGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13(2)20(27)23-15-9-10-18(22)17(12-15)21(28)24-19-11-14(3)25-26(19)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide has a molecular weight of 396.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 139003737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).