1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide

C23H25ClN4O3 — CID 43059088

IUPAC1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1
InChIInChI=1S/C23H25ClN4O3/c1-15(2)22-20(13-25-28(22)18-9-5-7-16(24)11-18)23(30)27(3)14-21(29)26-17-8-6-10-19(12-17)31-4/h5-13,15H,14H2,1-4H3,(H,26,29)
InChIKeyCGGMIDRIPSZZDU-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.37
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 43059088) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID43059088
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1
InChIInChI=1S/C23H25ClN4O3/c1-15(2)22-20(13-25-28(22)18-9-5-7-16(24)11-18)23(30)27(3)14-21(29)26-17-8-6-10-19(12-17)31-4/h5-13,15H,14H2,1-4H3,(H,26,29)
InChIKeyCGGMIDRIPSZZDU-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 55575572
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 37438164
6-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
CID 41377679
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24664619
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 37352003
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 47005438
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068
4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 46409143

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide (CID 43059088) is 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CGGMIDRIPSZZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-15(2)22-20(13-25-28(22)18-9-5-7-16(24)11-18)23(30)27(3)14-21(29)26-17-8-6-10-19(12-17)31-4/h5-13,15H,14H2,1-4H3,(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 43059088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).