4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide

C12H10Cl3N3O — CID 841895

IUPAC4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl3N3O/c1-2-18-11(8(14)6-16-18)12(19)17-9-5-3-4-7(13)10(9)15/h3-6H,2H2,1H3,(H,17,19)
InChIKeyNEOOEFZWGUFVFI-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide

4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 841895) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID841895
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC Name4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl3N3O/c1-2-18-11(8(14)6-16-18)12(19)17-9-5-3-4-7(13)10(9)15/h3-6H,2H2,1H3,(H,17,19)
InChIKeyNEOOEFZWGUFVFI-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 19477154
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
CID 19410315
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 19477357
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981
4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
CID 19477175
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3321903
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778
N-(2,3-dichlorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790725

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide (CID 841895) is 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is NEOOEFZWGUFVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-2-18-11(8(14)6-16-18)12(19)17-9-5-3-4-7(13)10(9)15/h3-6H,2H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide?
4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 318.59 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 841895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).