2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine

C15H21N3S — CID 106848714

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(N)Cc2cc(C)nn2C)cc1
InChIInChI=1S/C15H21N3S/c1-4-19-14-7-5-12(6-8-14)15(16)10-13-9-11(2)17-18(13)3/h5-9,15H,4,10,16H2,1-3H3
InChIKeyRNLDXASLYLDBRX-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.08
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine (PubChem CID 106848714) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
PubChem CID106848714
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
SMILESCCSc1ccc(C(N)Cc2cc(C)nn2C)cc1
InChIInChI=1S/C15H21N3S/c1-4-19-14-7-5-12(6-8-14)15(16)10-13-9-11(2)17-18(13)3/h5-9,15H,4,10,16H2,1-3H3
InChIKeyRNLDXASLYLDBRX-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66064619
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 104996061
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 107538733

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine (CID 106848714) is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine is CCSc1ccc(C(N)Cc2cc(C)nn2C)cc1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine?
The InChIKey is RNLDXASLYLDBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-19-14-7-5-12(6-8-14)15(16)10-13-9-11(2)17-18(13)3/h5-9,15H,4,10,16H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine is sourced from PubChem (CID 106848714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).