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

C15H22N4S — CID 115940305

IUPAC1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Sc2cc(C)nn2C)cn1
InChIInChI=1S/C15H22N4S/c1-5-13(16-6-2)14-8-7-12(10-17-14)20-15-9-11(3)18-19(15)4/h7-10,13,16H,5-6H2,1-4H3
InChIKeyHVDWUMJPHITZQY-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.34
Rot. Bonds6

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

1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine (PubChem CID 115940305) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
PubChem CID115940305
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Sc2cc(C)nn2C)cn1
InChIInChI=1S/C15H22N4S/c1-5-13(16-6-2)14-8-7-12(10-17-14)20-15-9-11(3)18-19(15)4/h7-10,13,16H,5-6H2,1-4H3
InChIKeyHVDWUMJPHITZQY-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 136985232
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile
CID 115489973
(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107770916
4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 115940323
N-[[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63808313
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
CID 64626816
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine (CID 115940305) is 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(Sc2cc(C)nn2C)cn1.
What is the InChIKey of 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine?
The InChIKey is HVDWUMJPHITZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-13(16-6-2)14-8-7-12(10-17-14)20-15-9-11(3)18-19(15)4/h7-10,13,16H,5-6H2,1-4H3.
What are the key properties of 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine?
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine has a molecular weight of 290.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115940305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).