3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

C18H16ClN3O3 — CID 46920150

IUPAC3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c(OC)c1
InChIInChI=1S/C18H16ClN3O3/c1-24-13-6-7-14(17(9-13)25-2)20-18(23)16-10-15(21-22-16)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyZZEWTCZAHXCUHG-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.00
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920150) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920150
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c(OC)c1
InChIInChI=1S/C18H16ClN3O3/c1-24-13-6-7-14(17(9-13)25-2)20-18(23)16-10-15(21-22-16)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyZZEWTCZAHXCUHG-UHFFFAOYSA-N
XLogP4.00
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920353
3-[4-(diaminomethylideneamino)phenyl]-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 122182849
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
N-(2,4-dimethoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 2039755
N-(2-fluoro-5-methylphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509699
N-(2-benzoyl-4-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508722
3-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 24531993
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920320

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46920150) is 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c(OC)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZZEWTCZAHXCUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-13-6-7-14(17(9-13)25-2)20-18(23)16-10-15(21-22-16)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).