4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine

C11H21N3S — CID 64626816

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
SMILESCCNC(C)CCSc1cc(C)nn1C
InChIInChI=1S/C11H21N3S/c1-5-12-9(2)6-7-15-11-8-10(3)13-14(11)4/h8-9,12H,5-7H2,1-4H3
InChIKeyXVCFDBGOHORPBO-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.21
Rot. Bonds6

About 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine (PubChem CID 64626816) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
PubChem CID64626816
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
SMILESCCNC(C)CCSc1cc(C)nn1C
InChIInChI=1S/C11H21N3S/c1-5-12-9(2)6-7-15-11-8-10(3)13-14(11)4/h8-9,12H,5-7H2,1-4H3
InChIKeyXVCFDBGOHORPBO-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
CID 64634995
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-2-amine
CID 62579734
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
CID 64634986
methyl 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)butanoate
CID 55145329
1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
CID 64813400
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-1-amine
CID 62579927
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64634610
1,3-dimethyl-5-(2-phenylsulfanylethylsulfanyl)pyrazole
CID 79327096
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine
CID 64634490
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64806113
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810815
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine (CID 64626816) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine is CCNC(C)CCSc1cc(C)nn1C.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine?
The InChIKey is XVCFDBGOHORPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-12-9(2)6-7-15-11-8-10(3)13-14(11)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine is sourced from PubChem (CID 64626816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).