1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C17H31N3S — CID 65139202

IUPAC1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(CSC2CCCC2)NC)n1
InChIInChI=1S/C17H31N3S/c1-4-16(5-2)20-11-10-14(19-20)12-15(18-3)13-21-17-8-6-7-9-17/h10-11,15-18H,4-9,12-13H2,1-3H3
InChIKeyFVNWQEHKMAGBJR-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.05
Rot. Bonds9

About 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 65139202) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID65139202
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(CSC2CCCC2)NC)n1
InChIInChI=1S/C17H31N3S/c1-4-16(5-2)20-11-10-14(19-20)12-15(18-3)13-21-17-8-6-7-9-17/h10-11,15-18H,4-9,12-13H2,1-3H3
InChIKeyFVNWQEHKMAGBJR-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclopentylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227639
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128
1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thian-2-yl)ethanamine
CID 80626578
[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
1-N,1-N,3-N-trimethyl-4-(1-pentan-3-ylpyrazol-3-yl)butane-1,3-diamine
CID 115346469
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377
N,4,5,5-tetramethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 104991826
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104991781
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105155745

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 65139202) is 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(CSC2CCCC2)NC)n1.
What is the InChIKey of 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is FVNWQEHKMAGBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-4-16(5-2)20-11-10-14(19-20)12-15(18-3)13-21-17-8-6-7-9-17/h10-11,15-18H,4-9,12-13H2,1-3H3.
What are the key properties of 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 65139202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).