2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

C20H16Cl3N3O — CID 19395537

IUPAC2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl3N3O/c21-13-6-4-12(5-7-13)15-8-16(15)20(27)25-14-9-24-26(10-14)11-17-18(22)2-1-3-19(17)23/h1-7,9-10,15-16H,8,11H2,(H,25,27)
InChIKeyDUHLCMMXXGJCBS-UHFFFAOYSA-N
MW420.73 g/mol
LogP5.63
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 19395537) has the molecular formula C20H16Cl3N3O and a molecular weight of 420.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID19395537
Molecular FormulaC20H16Cl3N3O
Molecular Weight420.73 g/mol
Exact Mass419.04
IUPAC Name2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl3N3O/c21-13-6-4-12(5-7-13)15-8-16(15)20(27)25-14-9-24-26(10-14)11-17-18(22)2-1-3-19(17)23/h1-7,9-10,15-16H,8,11H2,(H,25,27)
InChIKeyDUHLCMMXXGJCBS-UHFFFAOYSA-N
XLogP5.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19410558
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715
2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19346838
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451
2-(4-chlorophenyl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19340322
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
1-(1-adamantyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 19447916
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 56725277
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19284266
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide (CID 19395537) is 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is DUHLCMMXXGJCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O/c21-13-6-4-12(5-7-13)15-8-16(15)20(27)25-14-9-24-26(10-14)11-17-18(22)2-1-3-19(17)23/h1-7,9-10,15-16H,8,11H2,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 420.73 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 19395537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).