1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine

C16H29ClN4 — CID 105038978

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C16H29ClN4/c1-18-15(11-13-7-5-4-6-8-13)16-14(17)12-19-21(16)10-9-20(2)3/h12-13,15,18H,4-11H2,1-3H3
InChIKeyHSXWBVDNLUUMDW-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.33
Rot. Bonds7

About 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine (PubChem CID 105038978) has the molecular formula C16H29ClN4 and a molecular weight of 312.89 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
PubChem CID105038978
Molecular FormulaC16H29ClN4
Molecular Weight312.89 g/mol
Exact Mass312.21
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C16H29ClN4/c1-18-15(11-13-7-5-4-6-8-13)16-14(17)12-19-21(16)10-9-20(2)3/h12-13,15,18H,4-11H2,1-3H3
InChIKeyHSXWBVDNLUUMDW-UHFFFAOYSA-N
XLogP3.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
CID 114654108
2-[5-[6-bicyclo[3.1.0]hexanyl(methylamino)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105038986
2-[4-chloro-5-[methylamino-(2-methylcyclopropyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114655901
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cycloheptyl-N-methylethanamine
CID 105042914
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105335717
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine (CID 105038978) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine is CNC(CC1CCCCC1)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine?
The InChIKey is HSXWBVDNLUUMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN4/c1-18-15(11-13-7-5-4-6-8-13)16-14(17)12-19-21(16)10-9-20(2)3/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine has a molecular weight of 312.89 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 105038978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).