2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

C20H16Cl3N3O — CID 22176775

IUPAC2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(Cl)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C20H16Cl3N3O/c21-15-7-3-1-5-13(15)20(23,14-6-2-4-8-16(14)22)19(27)24-18-11-17(25-26-18)12-9-10-12/h1-8,11-12H,9-10H2,(H2,24,25,26,27)
InChIKeySQORFVOAWZIVLS-UHFFFAOYSA-N
MW420.73 g/mol
LogP5.72
Rot. Bonds5

About 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (PubChem CID 22176775) has the molecular formula C20H16Cl3N3O and a molecular weight of 420.73 g/mol. Its IUPAC name is 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
PubChem CID22176775
Molecular FormulaC20H16Cl3N3O
Molecular Weight420.73 g/mol
Exact Mass419.04
IUPAC Name2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(Cl)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C20H16Cl3N3O/c21-15-7-3-1-5-13(15)20(23,14-6-2-4-8-16(14)22)19(27)24-18-11-17(25-26-18)12-9-10-12/h1-8,11-12H,9-10H2,(H2,24,25,26,27)
InChIKeySQORFVOAWZIVLS-UHFFFAOYSA-N
XLogP5.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 110464835
N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
CID 10176787
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 47078473
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 99784300
2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176703
1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 22176751
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 128766710
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 75362957
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
N-(5-cycloheptyl-1H-pyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119329584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (CID 22176775) is 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is O=C(Nc1cc(C2CC2)[nH]n1)C(Cl)(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is SQORFVOAWZIVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3O/c21-15-7-3-1-5-13(15)20(23,14-6-2-4-8-16(14)22)19(27)24-18-11-17(25-26-18)12-9-10-12/h1-8,11-12H,9-10H2,(H2,24,25,26,27).
What are the key properties of 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 420.73 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-bis(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 22176775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).