N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide

C18H15ClN4O3 — CID 55924906

IUPACN-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15ClN4O3/c1-26-16-6-5-11(17(20)24)9-15(16)21-18(25)14-7-8-23(22-14)13-4-2-3-12(19)10-13/h2-10H,1H3,(H2,20,24)(H,21,25)
InChIKeyWNSYKGFRHQZRKV-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.89
Rot. Bonds5

About N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide

N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide (PubChem CID 55924906) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
PubChem CID55924906
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC NameN-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H15ClN4O3/c1-26-16-6-5-11(17(20)24)9-15(16)21-18(25)14-7-8-23(22-14)13-4-2-3-12(19)10-13/h2-10H,1H3,(H2,20,24)(H,21,25)
InChIKeyWNSYKGFRHQZRKV-UHFFFAOYSA-N
XLogP2.89
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-(2-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38484159
1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 167920194
N-(5-carbamoyl-2-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55783247
N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 47381384
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455
1-[2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55966834
1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 55925377
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
CID 81257098
4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide
CID 90102707
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55929086

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide (CID 55924906) is N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide?
The InChIKey is WNSYKGFRHQZRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-26-16-6-5-11(17(20)24)9-15(16)21-18(25)14-7-8-23(22-14)13-4-2-3-12(19)10-13/h2-10H,1H3,(H2,20,24)(H,21,25).
What are the key properties of N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide?
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide has a molecular weight of 370.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55924906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).