bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

C23H18Cl2N4O — CID 18674032

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccncc2)c(-c2ccc(Cl)c(Cl)c2)nn1C.c1cc2cc-2c1
InChIInChI=1S/C17H14Cl2N4O.C6H4/c1-10(24)21-17-15(11-5-7-20-8-6-11)16(22-23(17)2)12-3-4-13(18)14(19)9-12;1-2-5-4-6(5)3-1/h3-9H,1-2H3,(H,21,24);1-4H
InChIKeyLHUDKJAYOKWUAI-UHFFFAOYSA-N
MW437.33 g/mol
LogP6.08
Rot. Bonds3

About bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide

bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674032) has the molecular formula C23H18Cl2N4O and a molecular weight of 437.33 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674032
Molecular FormulaC23H18Cl2N4O
Molecular Weight437.33 g/mol
Exact Mass436.09
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccncc2)c(-c2ccc(Cl)c(Cl)c2)nn1C.c1cc2cc-2c1
InChIInChI=1S/C17H14Cl2N4O.C6H4/c1-10(24)21-17-15(11-5-7-20-8-6-11)16(22-23(17)2)12-3-4-13(18)14(19)9-12;1-2-5-4-6(5)3-1/h3-9H,1-2H3,(H,21,24);1-4H
InChIKeyLHUDKJAYOKWUAI-UHFFFAOYSA-N
XLogP6.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 57467727
2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674096
2-acetamido-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 70000100
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 18674028
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
2-chloro-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methylphenyl)acetamide
CID 18674041
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 18674147
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674032) is bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is CC(=O)Nc1c(-c2ccncc2)c(-c2ccc(Cl)c(Cl)c2)nn1C.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is LHUDKJAYOKWUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O.C6H4/c1-10(24)21-17-15(11-5-7-20-8-6-11)16(22-23(17)2)12-3-4-13(18)14(19)9-12;1-2-5-4-6(5)3-1/h3-9H,1-2H3,(H,21,24);1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide?
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 437.33 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(3,4-dichlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).