3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

C18H15Cl2N3O2 — CID 19509972

IUPAC3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-2-25-13-6-4-12(5-7-13)21-18(24)17-10-16(22-23-17)14-8-3-11(19)9-15(14)20/h3-10H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyKUYXENLJSGJOOQ-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.03
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509972) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509972
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-2-25-13-6-4-12(5-7-13)21-18(24)17-10-16(22-23-17)14-8-3-11(19)9-15(14)20/h3-10H,2H2,1H3,(H,21,24)(H,22,23)
InChIKeyKUYXENLJSGJOOQ-UHFFFAOYSA-N
XLogP5.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1184922
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
3-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128475
3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46948382
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
3-(2,4-dichlorophenyl)-N-(1-methylbenzimidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19509973

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19509972) is 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KUYXENLJSGJOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-2-25-13-6-4-12(5-7-13)21-18(24)17-10-16(22-23-17)14-8-3-11(19)9-15(14)20/h3-10H,2H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).