5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide

C17H21Cl2N3O2 — CID 29353447

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C17H21Cl2N3O2/c1-3-24-10-6-9-20-17(23)15-12(2)21-22(16(15)19)11-13-7-4-5-8-14(13)18/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,23)
InChIKeyXAVBIYSCPQNMJE-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.70
Rot. Bonds8

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide (PubChem CID 29353447) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
PubChem CID29353447
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C17H21Cl2N3O2/c1-3-24-10-6-9-20-17(23)15-12(2)21-22(16(15)19)11-13-7-4-5-8-14(13)18/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,23)
InChIKeyXAVBIYSCPQNMJE-UHFFFAOYSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-ethoxypropyl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 51314224
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065
1-[(2-chlorophenyl)methyl]-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798305
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
CID 35768956
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
N-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119382459
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119176931
5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55859126

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide (CID 29353447) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide is CCOCCCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is XAVBIYSCPQNMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c1-3-24-10-6-9-20-17(23)15-12(2)21-22(16(15)19)11-13-7-4-5-8-14(13)18/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,20,23).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 370.28 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 29353447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).