2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C17H23N3S — CID 106757438

IUPAC2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1SC1CCCC1)c1ccnn1C
InChIInChI=1S/C17H23N3S/c1-13(16-11-12-18-20(16)2)19-15-9-5-6-10-17(15)21-14-7-3-4-8-14/h5-6,9-14,19H,3-4,7-8H2,1-2H3
InChIKeyUNFOSPYXWHWSSY-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.63
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106757438) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106757438
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1SC1CCCC1)c1ccnn1C
InChIInChI=1S/C17H23N3S/c1-13(16-11-12-18-20(16)2)19-15-9-5-6-10-17(15)21-14-7-3-4-8-14/h5-6,9-14,19H,3-4,7-8H2,1-2H3
InChIKeyUNFOSPYXWHWSSY-UHFFFAOYSA-N
XLogP4.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054
2-cyclopentylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43737702
2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid
CID 61454901
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
2,5-dibromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757432
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
2-cyclopentylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755248

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106757438) is 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is CC(Nc1ccccc1SC1CCCC1)c1ccnn1C.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is UNFOSPYXWHWSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(16-11-12-18-20(16)2)19-15-9-5-6-10-17(15)21-14-7-3-4-8-14/h5-6,9-14,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 301.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106757438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).