5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

C18H16ClN3O3 — CID 73254440

IUPAC5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2Cl)c(OC)c1
InChIInChI=1S/C18H16ClN3O3/c1-24-13-8-9-15(16(10-13)25-2)21-18(23)14-11-20-22(17(14)19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23)
InChIKeyVIZJPLWQTVCGOV-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.80
Rot. Bonds5

About 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 73254440) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID73254440
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2Cl)c(OC)c1
InChIInChI=1S/C18H16ClN3O3/c1-24-13-8-9-15(16(10-13)25-2)21-18(23)14-11-20-22(17(14)19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23)
InChIKeyVIZJPLWQTVCGOV-UHFFFAOYSA-N
XLogP3.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,4-dimethoxyphenyl)-5-ethyl-1-phenyltriazole-4-carboxamide
CID 91885850
N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892594
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
1-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)pyrazole-4-carboxamide
CID 46488849
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 73254440) is 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2Cl)c(OC)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VIZJPLWQTVCGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-13-8-9-15(16(10-13)25-2)21-18(23)14-11-20-22(17(14)19)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,23).
What are the key properties of 5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.80, 5 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-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 73254440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).