2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine

C13H22ClN3O — CID 117233230

IUPAC2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(OC2CCCCC2)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-16(2)8-9-17-13(14)12(10-15-17)18-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyHLPGGHSRZMHJSV-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.81
Rot. Bonds5

About 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine

2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine (PubChem CID 117233230) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine
PubChem CID117233230
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(OC2CCCCC2)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-16(2)8-9-17-13(14)12(10-15-17)18-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyHLPGGHSRZMHJSV-UHFFFAOYSA-N
XLogP2.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738
1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
CID 117233181
5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
CID 117231920
4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232690
2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232626
5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
CID 117232356
1-tert-butyl-5-chloro-4-cyclopentyloxypyrazole
CID 117232843
5-chloro-4-cyclohexyloxy-1-[(3-fluorophenyl)methyl]pyrazole
CID 117232551
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
5-chloro-4-cyclohexyloxy-1-(2-methylphenyl)pyrazole
CID 117232974

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine (CID 117233230) is 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1ncc(OC2CCCCC2)c1Cl.
What is the InChIKey of 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is HLPGGHSRZMHJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-16(2)8-9-17-13(14)12(10-15-17)18-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine?
2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 271.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 117233230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).