2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide

C17H18Cl3N3O — CID 19332081

IUPAC2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCc1nn(CCCNC(=O)C2CC2c2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C17H18Cl3N3O/c1-10-15(19)16(20)23(22-10)8-2-7-21-17(24)14-9-13(14)11-3-5-12(18)6-4-11/h3-6,13-14H,2,7-9H2,1H3,(H,21,24)
InChIKeyITKWHVOUWPKHDF-UHFFFAOYSA-N
MW386.71 g/mol
LogP4.46
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 19332081) has the molecular formula C17H18Cl3N3O and a molecular weight of 386.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID19332081
Molecular FormulaC17H18Cl3N3O
Molecular Weight386.71 g/mol
Exact Mass385.05
IUPAC Name2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESCc1nn(CCCNC(=O)C2CC2c2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C17H18Cl3N3O/c1-10-15(19)16(20)23(22-10)8-2-7-21-17(24)14-9-13(14)11-3-5-12(18)6-4-11/h3-6,13-14H,2,7-9H2,1H3,(H,21,24)
InChIKeyITKWHVOUWPKHDF-UHFFFAOYSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.71
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
2-(4-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 19332301
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 19329964
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
trans-(1S,2S)-2-(4-chlorophenyl)-N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]cyclopropane-1-carboxamide
CID 124842520
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
2-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19331083
trans-(1S,2S)-2-(4-chlorophenyl)-N-[3-oxo-3-(prop-2-ynylamino)propyl]cyclopropane-1-carboxamide
CID 95307240
2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19525075
2-(4-chlorophenyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropane-1-carboxamide
CID 19412143

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide (CID 19332081) is 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide is Cc1nn(CCCNC(=O)C2CC2c2ccc(Cl)cc2)c(Cl)c1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is ITKWHVOUWPKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N3O/c1-10-15(19)16(20)23(22-10)8-2-7-21-17(24)14-9-13(14)11-3-5-12(18)6-4-11/h3-6,13-14H,2,7-9H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 386.71 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19332081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).