2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

C14H25N3OS — CID 114654144

IUPAC2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(CSC1CCCC1)c1c(OC)cnn1C
InChIInChI=1S/C14H25N3OS/c1-4-15-12(10-19-11-7-5-6-8-11)14-13(18-3)9-16-17(14)2/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeySDDDVOFAQAYGJC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.76
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine

2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (PubChem CID 114654144) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
PubChem CID114654144
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(CSC1CCCC1)c1c(OC)cnn1C
InChIInChI=1S/C14H25N3OS/c1-4-15-12(10-19-11-7-5-6-8-11)14-13(18-3)9-16-17(14)2/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeySDDDVOFAQAYGJC-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105047094
2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114654096
2-butan-2-ylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654035
[2-cyclohexylsulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethyl]hydrazine
CID 105227824
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114656065
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-propylsulfanylethyl]propan-1-amine
CID 114653618
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine (CID 114654144) is 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is CCNC(CSC1CCCC1)c1c(OC)cnn1C.
What is the InChIKey of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is SDDDVOFAQAYGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-15-12(10-19-11-7-5-6-8-11)14-13(18-3)9-16-17(14)2/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine?
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 114654144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).