2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

C15H25ClN4 — CID 105038986

IUPAC2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(Cl)cnn1CCN(C)C)C1C2CCCC21
InChIInChI=1S/C15H25ClN4/c1-17-14(13-10-5-4-6-11(10)13)15-12(16)9-18-20(15)8-7-19(2)3/h9-11,13-14,17H,4-8H2,1-3H3
InChIKeyNCQPEICEFJETHX-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.40
Rot. Bonds6

About 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105038986) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105038986
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(Cl)cnn1CCN(C)C)C1C2CCCC21
InChIInChI=1S/C15H25ClN4/c1-17-14(13-10-5-4-6-11(10)13)15-12(16)9-18-20(15)8-7-19(2)3/h9-11,13-14,17H,4-8H2,1-3H3
InChIKeyNCQPEICEFJETHX-UHFFFAOYSA-N
XLogP2.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
2-[4-chloro-5-[methylamino-(2-methylcyclopropyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114655901
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
CID 105038978
N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
CID 114654108
2-[4-chloro-5-[methylamino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652491
2-[4-chloro-5-[methylamino-(4-methylthiomorpholin-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106444904
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
N-[6-bicyclo[3.1.0]hexanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 105054640
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine (CID 105038986) is 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1c(Cl)cnn1CCN(C)C)C1C2CCCC21.
What is the InChIKey of 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is NCQPEICEFJETHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-17-14(13-10-5-4-6-11(10)13)15-12(16)9-18-20(15)8-7-19(2)3/h9-11,13-14,17H,4-8H2,1-3H3.
What are the key properties of 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 296.85 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105038986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).