1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide

C17H13Cl2N3O2 — CID 163320560

IUPAC1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(N)=O)cc1
InChIInChI=1S/C17H13Cl2N3O2/c1-24-12-5-2-10(3-6-12)16-13(17(20)23)9-22(21-16)15-7-4-11(18)8-14(15)19/h2-9H,1H3,(H2,20,23)
InChIKeyZZNYUQQXVOJTOL-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide

1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 163320560) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID163320560
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(N)=O)cc1
InChIInChI=1S/C17H13Cl2N3O2/c1-24-12-5-2-10(3-6-12)16-13(17(20)23)9-22(21-16)15-7-4-11(18)8-14(15)19/h2-9H,1H3,(H2,20,23)
InChIKeyZZNYUQQXVOJTOL-UHFFFAOYSA-N
XLogP3.95
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
3-(4-methoxyphenyl)-1-methylpyrazole-4-carbothioamide
CID 39096392
1-(2,4-dichlorophenyl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203120
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 22308209
ethyl 4-acetyl-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate
CID 28811433
5-[1-(2,4-dichlorophenyl)-3-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90033989
1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43324452
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
2-chloro-6-(4-methoxyphenyl)pyridine-3-carboxamide;ethane
CID 145017918
1-(2,4-dichlorophenyl)-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43324340
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324453

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 163320560) is 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(N)=O)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is ZZNYUQQXVOJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-24-12-5-2-10(3-6-12)16-13(17(20)23)9-22(21-16)15-7-4-11(18)8-14(15)19/h2-9H,1H3,(H2,20,23).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 163320560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).