N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine

C14H19N3S — CID 63809376

IUPACN-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Sc1cc(C)nn1C
InChIInChI=1S/C14H19N3S/c1-4-15-10-12-7-5-6-8-13(12)18-14-9-11(2)16-17(14)3/h5-9,15H,4,10H2,1-3H3
InChIKeyRSSIVJGBCIZAJU-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.99
Rot. Bonds5

About N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine

N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine (PubChem CID 63809376) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine
PubChem CID63809376
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccccc1Sc1cc(C)nn1C
InChIInChI=1S/C14H19N3S/c1-4-15-10-12-7-5-6-8-13(12)18-14-9-11(2)16-17(14)3/h5-9,15H,4,10H2,1-3H3
InChIKeyRSSIVJGBCIZAJU-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine (CID 63809376) is N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine is CCNCc1ccccc1Sc1cc(C)nn1C.
What is the InChIKey of N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is RSSIVJGBCIZAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-15-10-12-7-5-6-8-13(12)18-14-9-11(2)16-17(14)3/h5-9,15H,4,10H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine?
N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 63809376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).