5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C23H25ClN4O3 — CID 25162262

IUPAC5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C23H25ClN4O3/c1-15-5-7-17(8-6-15)13-28-22(24)21(16(2)26-28)23(30)27(3)14-20(29)25-18-9-11-19(31-4)12-10-18/h5-12H,13-14H2,1-4H3,(H,25,29)
InChIKeyXSUYRXVUPJCNMZ-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.92
Rot. Bonds7

About 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 25162262) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID25162262
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C23H25ClN4O3/c1-15-5-7-17(8-6-15)13-28-22(24)21(16(2)26-28)23(30)27(3)14-20(29)25-18-9-11-19(31-4)12-10-18/h5-12H,13-14H2,1-4H3,(H,25,29)
InChIKeyXSUYRXVUPJCNMZ-UHFFFAOYSA-N
XLogP3.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tolfenpyrad
CID 10110536
5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
Cfm-1571
CID 9844347
5-chloro-N-(2-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2047123
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1000608
1-benzyl-5-chloro-N-(2-methoxy-5-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 2090618
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
5-chloro-N-(3-chloro-4-methoxyphenyl)-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 2161257
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2243676
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 25162262) is 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is XSUYRXVUPJCNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-15-5-7-17(8-6-15)13-28-22(24)21(16(2)26-28)23(30)27(3)14-20(29)25-18-9-11-19(31-4)12-10-18/h5-12H,13-14H2,1-4H3,(H,25,29).
What are the key properties of 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 25162262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).