N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C26H23ClN4O3 — CID 55674688

IUPACN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1
InChIInChI=1S/C26H23ClN4O3/c1-30(2)26(33)21-15-18(12-13-23(21)27)28-25(32)22-16-31(19-9-5-4-6-10-19)29-24(22)17-8-7-11-20(14-17)34-3/h4-16H,1-3H3,(H,28,32)
InChIKeyVIWAJHFPNBFWSD-UHFFFAOYSA-N
MW474.95 g/mol
LogP5.16
Rot. Bonds6

About N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 55674688) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID55674688
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1
InChIInChI=1S/C26H23ClN4O3/c1-30(2)26(33)21-15-18(12-13-23(21)27)28-25(32)22-16-31(19-9-5-4-6-10-19)29-24(22)17-8-7-11-20(14-17)34-3/h4-16H,1-3H3,(H,28,32)
InChIKeyVIWAJHFPNBFWSD-UHFFFAOYSA-N
XLogP5.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-(3-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 31845892
N-[3-(3-cyanopropoxy)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55879339
N-[3-amino-5-[2-(dimethylamino)ethoxy]phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904387
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46797403
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 55674688) is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1.
What is the InChIKey of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VIWAJHFPNBFWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-30(2)26(33)21-15-18(12-13-23(21)27)28-25(32)22-16-31(19-9-5-4-6-10-19)29-24(22)17-8-7-11-20(14-17)34-3/h4-16H,1-3H3,(H,28,32).
What are the key properties of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55674688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).