N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine

C14H25N3S — CID 105148508

IUPACN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1ccnn1CC
InChIInChI=1S/C14H25N3S/c1-3-15-13(11-12-6-9-18-10-7-12)14-5-8-16-17(14)4-2/h5,8,12-13,15H,3-4,6-7,9-11H2,1-2H3
InChIKeyVFPWGXHTXQBQKJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.09
Rot. Bonds6

About N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine

N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine (PubChem CID 105148508) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine
PubChem CID105148508
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine
SMILESCCNC(CC1CCSCC1)c1ccnn1CC
InChIInChI=1S/C14H25N3S/c1-3-15-13(11-12-6-9-18-10-7-12)14-5-8-16-17(14)4-2/h5,8,12-13,15H,3-4,6-7,9-11H2,1-2H3
InChIKeyVFPWGXHTXQBQKJ-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63975733
1-(3,4-dichlorophenyl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 105077128
N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine
CID 105148426
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
CID 63976814
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
[2-cyclopropyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105254012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine (CID 105148508) is N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine is CCNC(CC1CCSCC1)c1ccnn1CC.
What is the InChIKey of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine?
The InChIKey is VFPWGXHTXQBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-15-13(11-12-6-9-18-10-7-12)14-5-8-16-17(14)4-2/h5,8,12-13,15H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine?
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105148508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).