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

C15H27ClN4S — CID 114654108

IUPAC1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H27ClN4S/c1-17-14(11-21-12-6-4-5-7-12)15-13(16)10-18-20(15)9-8-19(2)3/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeyYSSMJHMRTLZEOM-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.03
Rot. Bonds8

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

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine (PubChem CID 114654108) has the molecular formula C15H27ClN4S and a molecular weight of 330.93 g/mol. Its IUPAC name is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
PubChem CID114654108
Molecular FormulaC15H27ClN4S
Molecular Weight330.93 g/mol
Exact Mass330.16
IUPAC Name1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
SMILESCNC(CSC1CCCC1)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C15H27ClN4S/c1-17-14(11-21-12-6-4-5-7-12)15-13(16)10-18-20(15)9-8-19(2)3/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeyYSSMJHMRTLZEOM-UHFFFAOYSA-N
XLogP3.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
CID 105038978
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
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114654096
6-bicyclo[3.1.0]hexanyl-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 115834227
N-[1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethylsulfanylethyl]propan-1-amine
CID 114653523
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopentylsulfanylethanol
CID 114643886
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
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190913
2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105227166

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine?
The IUPAC name of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine (CID 114654108) is 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine.
What is the SMILES notation for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine?
The canonical SMILES for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine is CNC(CSC1CCCC1)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine?
The InChIKey is YSSMJHMRTLZEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4S/c1-17-14(11-21-12-6-4-5-7-12)15-13(16)10-18-20(15)9-8-19(2)3/h10,12,14,17H,4-9,11H2,1-3H3.
What are the key properties of 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine?
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine has a molecular weight of 330.93 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine is sourced from PubChem (CID 114654108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).