2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide

C20H16Cl3N3O — CID 19588260

IUPAC2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)c(Cl)c1-c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C20H16Cl3N3O/c21-14-5-1-12(2-6-14)19-18(23)20(13-3-7-15(22)8-4-13)26(25-19)11-17(27)24-16-9-10-16/h1-8,16H,9-11H2,(H,24,27)
InChIKeyWGUMEVQTPZCHOA-UHFFFAOYSA-N
MW420.73 g/mol
LogP5.46
Rot. Bonds5

About 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide

2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide (PubChem CID 19588260) has the molecular formula C20H16Cl3N3O and a molecular weight of 420.73 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
PubChem CID19588260
Molecular FormulaC20H16Cl3N3O
Molecular Weight420.73 g/mol
Exact Mass419.04
IUPAC Name2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)c(Cl)c1-c1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C20H16Cl3N3O/c21-14-5-1-12(2-6-14)19-18(23)20(13-3-7-15(22)8-4-13)26(25-19)11-17(27)24-16-9-10-16/h1-8,16H,9-11H2,(H,24,27)
InChIKeyWGUMEVQTPZCHOA-UHFFFAOYSA-N
XLogP5.46
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 ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide (CID 19588260) is 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)c(Cl)c1-c1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is WGUMEVQTPZCHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O/c21-14-5-1-12(2-6-14)19-18(23)20(13-3-7-15(22)8-4-13)26(25-19)11-17(27)24-16-9-10-16/h1-8,16H,9-11H2,(H,24,27).
What are the key properties of 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide?
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 420.73 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 19588260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).