(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane

C17H19Cl2N3 — CID 56669562

IUPAC(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
SMILESCc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1
InChIInChI=1S/C17H19Cl2N3/c1-12-4-7-22(21-12)11-16-9-17(16,5-6-20-10-16)13-2-3-14(18)15(19)8-13/h2-4,7-8,20H,5-6,9-11H2,1H3/t16?,17-/m1/s1
InChIKeyVUEZBOYAXGKAME-ZYMOGRSISA-N
MW336.27 g/mol
LogP3.82
Rot. Bonds3

About (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane

(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane (PubChem CID 56669562) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
PubChem CID56669562
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
SMILESCc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1
InChIInChI=1S/C17H19Cl2N3/c1-12-4-7-22(21-12)11-16-9-17(16,5-6-20-10-16)13-2-3-14(18)15(19)8-13/h2-4,7-8,20H,5-6,9-11H2,1H3/t16?,17-/m1/s1
InChIKeyVUEZBOYAXGKAME-ZYMOGRSISA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,6S)-6-(3,4-dichlorophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 44219207
(1R,6S)-6-(3,4-dichlorophenyl)-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-azabicyclo[4.1.0]heptane
CID 44219365
(1R,6S)-6-(3,4-dichlorophenyl)-1-[(4-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 44219367
(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrrol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 56659126
(6S)-6-(3,4-dichlorophenyl)-1-[(5-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 56659201
(1R,6S)-1-[(3-tert-butylpyrazol-1-yl)methyl]-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane
CID 56662629
2-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole
CID 56662648
1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole
CID 56662696
1-[[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]pyrazole-3-carbonitrile
CID 56662697
(1R,6S)-6-(3,4-dichlorophenyl)-1-(pyrrol-1-ylmethyl)-3-azabicyclo[4.1.0]heptane
CID 56669493
(6S)-6-(3,4-dichlorophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 56669563
(1R,6S)-6-(3,4-dichlorophenyl)-1-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-3-azabicyclo[4.1.0]heptane
CID 56679646

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane (CID 56669562) is (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane is Cc1ccn(CC23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1.
What is the InChIKey of (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane?
The InChIKey is VUEZBOYAXGKAME-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H19Cl2N3/c1-12-4-7-22(21-12)11-16-9-17(16,5-6-20-10-16)13-2-3-14(18)15(19)8-13/h2-4,7-8,20H,5-6,9-11H2,1H3/t16?,17-/m1/s1.
What are the key properties of (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane?
(6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane has a molecular weight of 336.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3,4-dichlorophenyl)-1-[(3-methylpyrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 56669562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).