1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine

C10H19N3S — CID 64634995

IUPAC1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(C)CSc1cc(C)nn1C
InChIInChI=1S/C10H19N3S/c1-5-11-9(3)7-14-10-6-8(2)12-13(10)4/h6,9,11H,5,7H2,1-4H3
InChIKeyXZNJGMKAKUFZLL-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.82
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine

1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine (PubChem CID 64634995) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
PubChem CID64634995
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
SMILESCCNC(C)CSc1cc(C)nn1C
InChIInChI=1S/C10H19N3S/c1-5-11-9(3)7-14-10-6-8(2)12-13(10)4/h6,9,11H,5,7H2,1-4H3
InChIKeyXZNJGMKAKUFZLL-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
CID 64634986
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
CID 64626816
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64634610
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-2-amine
CID 62579734
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(methylamino)propanenitrile
CID 62403772
2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
CID 64806110
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
CID 63072187
propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate
CID 62408199
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
2-(2,5-dimethylpyrazol-3-yl)sulfanylacetic acid
CID 62409331
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
CID 64559984

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine (CID 64634995) is 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine is CCNC(C)CSc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine?
The InChIKey is XZNJGMKAKUFZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-11-9(3)7-14-10-6-8(2)12-13(10)4/h6,9,11H,5,7H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 64634995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).