6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane

C19H23Cl2N3 — CID 143858651

IUPAC6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane
SMILESCc1cc(C)n([C@H](C)C23CNCCC2(c2ccc(Cl)c(Cl)c2)C3)n1
InChIInChI=1S/C19H23Cl2N3/c1-12-8-13(2)24(23-12)14(3)19-10-18(19,6-7-22-11-19)15-4-5-16(20)17(21)9-15/h4-5,8-9,14,22H,6-7,10-11H2,1-3H3/t14-,18?,19?/m1/s1
InChIKeyXQQSDCOLMXGKEB-FTXHTYHOSA-N
MW364.32 g/mol
LogP4.69
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane

6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane (PubChem CID 143858651) has the molecular formula C19H23Cl2N3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane
PubChem CID143858651
Molecular FormulaC19H23Cl2N3
Molecular Weight364.32 g/mol
Exact Mass363.13
IUPAC Name6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane
SMILESCc1cc(C)n([C@H](C)C23CNCCC2(c2ccc(Cl)c(Cl)c2)C3)n1
InChIInChI=1S/C19H23Cl2N3/c1-12-8-13(2)24(23-12)14(3)19-10-18(19,6-7-22-11-19)15-4-5-16(20)17(21)9-15/h4-5,8-9,14,22H,6-7,10-11H2,1-3H3/t14-,18?,19?/m1/s1
InChIKeyXQQSDCOLMXGKEB-FTXHTYHOSA-N
XLogP4.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane with MolForge

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Related Compounds

2-[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]-4-methyl-1,3-thiazole
CID 56659199
6-(3,4-dichlorophenyl)-1-[(5-propan-2-yltetrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 70970290
(1S,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 68917869
(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 69077027
2-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4-methyl-1,3-oxazole
CID 70970351
1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole
CID 70970350
4-(3,4-dichlorophenyl)piperidin-4-amine
CID 118021104
(3R)-3-(3,4-dichlorophenyl)-3-methylpiperidine
CID 95456606
1-(1-bromoethyl)-3,5-dimethylpyrazole
CID 86146803
(1R,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane
CID 24849583
(6S)-6-(3-chloro-4-fluorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 143641570
6-(3,4-dichlorophenyl)-1,4-oxazepan-6-ol;hydrochloride
CID 66975325

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane (CID 143858651) is 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane is Cc1cc(C)n([C@H](C)C23CNCCC2(c2ccc(Cl)c(Cl)c2)C3)n1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane?
The InChIKey is XQQSDCOLMXGKEB-FTXHTYHOSA-N. The full InChI is InChI=1S/C19H23Cl2N3/c1-12-8-13(2)24(23-12)14(3)19-10-18(19,6-7-22-11-19)15-4-5-16(20)17(21)9-15/h4-5,8-9,14,22H,6-7,10-11H2,1-3H3/t14-,18?,19?/m1/s1.
What are the key properties of 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane?
6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane has a molecular weight of 364.32 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-1-[(1R)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 143858651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).