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

C13H13Cl2N3O2 — CID 19510137

IUPAC3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O2/c1-20-5-4-16-13(19)12-7-11(17-18-12)9-3-2-8(14)6-10(9)15/h2-3,6-7H,4-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyOHNIBFYMYVMUPX-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.76
Rot. Bonds5

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

3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide (PubChem CID 19510137) has the molecular formula C13H13Cl2N3O2 and a molecular weight of 314.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
PubChem CID19510137
Molecular FormulaC13H13Cl2N3O2
Molecular Weight314.17 g/mol
Exact Mass313.04
IUPAC Name3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C13H13Cl2N3O2/c1-20-5-4-16-13(19)12-7-11(17-18-12)9-3-2-8(14)6-10(9)15/h2-3,6-7H,4-5H2,1H3,(H,16,19)(H,17,18)
InChIKeyOHNIBFYMYVMUPX-UHFFFAOYSA-N
XLogP2.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-3-(2,3,4-trichlorophenyl)-1H-pyrazole-5-carboxamide
CID 24178170
3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 940183
3-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 19509988
3-(2,4-dichlorophenyl)-N-isopropyl-1H-pyrazole-5-carboxamide
CID 19510029
N-[(2,4-Dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-acetamide
CID 23654666
3-(2,4-dichloro-5-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 24178141
3-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-1H-pyrazole-5-carboxamide
CID 24178178
3-(2,4-dichloro-5-fluorophenyl)-N-(3-hydroxypropyl)-1H-pyrazole-5-carboxamide
CID 24178184
3-(2,4-dichlorophenyl)-N-isobutyl-1H-pyrazole-5-carboxamide
CID 19509990
3-(2,4-dichlorophenyl)-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 24178126
3-(2,4-dichloro-5-fluorophenyl)-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 24178130
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(morpholino)methanone
CID 24178133

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide (CID 19510137) is 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide is COCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OHNIBFYMYVMUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2/c1-20-5-4-16-13(19)12-7-11(17-18-12)9-3-2-8(14)6-10(9)15/h2-3,6-7H,4-5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 314.17 g/mol, XLogP of 2.76, 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-(2-methoxyethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).