2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide

C16H17Cl2N3O — CID 19330296

IUPAC2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cc(Cl)cn1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3O/c17-12-4-2-11(3-5-12)14-8-15(14)16(22)19-6-1-7-21-10-13(18)9-20-21/h2-5,9-10,14-15H,1,6-8H2,(H,19,22)
InChIKeyZECYMWRSDCYYEW-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.50
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 19330296) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID19330296
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cc(Cl)cn1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3O/c17-12-4-2-11(3-5-12)14-8-15(14)16(22)19-6-1-7-21-10-13(18)9-20-21/h2-5,9-10,14-15H,1,6-8H2,(H,19,22)
InChIKeyZECYMWRSDCYYEW-UHFFFAOYSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.50
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

2-(4-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 19332301
cis-(1R,2S)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698986
cis-(1S,2R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698983
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19332081
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
cis-(1S,2R)-2-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51699124
(1R,6R)-6-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51699055
2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19395537
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide (CID 19330296) is 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide is O=C(NCCCn1cc(Cl)cn1)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is ZECYMWRSDCYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-12-4-2-11(3-5-12)14-8-15(14)16(22)19-6-1-7-21-10-13(18)9-20-21/h2-5,9-10,14-15H,1,6-8H2,(H,19,22).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 3.50, 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-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19330296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).