2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine

C17H19N3S — CID 64633207

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
SMILESCc1cc(SCC(N)c2cccc3ccccc23)n(C)n1
InChIInChI=1S/C17H19N3S/c1-12-10-17(20(2)19-12)21-11-16(18)15-9-5-7-13-6-3-4-8-14(13)15/h3-10,16H,11,18H2,1-2H3
InChIKeyUBKHGKATPHWYPK-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.67
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine (PubChem CID 64633207) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
PubChem CID64633207
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine
SMILESCc1cc(SCC(N)c2cccc3ccccc23)n(C)n1
InChIInChI=1S/C17H19N3S/c1-12-10-17(20(2)19-12)21-11-16(18)15-9-5-7-13-6-3-4-8-14(13)15/h3-10,16H,11,18H2,1-2H3
InChIKeyUBKHGKATPHWYPK-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methylethanamine
CID 64626414
2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 64610927
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
CID 64559984
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64613898
3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one
CID 61224940
1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
1,3-dimethyl-5-(2-phenylsulfanylethylsulfanyl)pyrazole
CID 79327096
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
CID 62409748
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]aniline
CID 62580476
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
CID 64619248
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
CID 64634995
(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
CID 114066608

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine (CID 64633207) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine is Cc1cc(SCC(N)c2cccc3ccccc23)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
The InChIKey is UBKHGKATPHWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-10-17(20(2)19-12)21-11-16(18)15-9-5-7-13-6-3-4-8-14(13)15/h3-10,16H,11,18H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-naphthalen-1-ylethanamine has a molecular weight of 297.43 g/mol, XLogP of 3.67, 4 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)sulfanyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 64633207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).