[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine

C12H15N3S — CID 107931460

IUPAC[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2cnn(C)c2)c(CN)c1
InChIInChI=1S/C12H15N3S/c1-9-3-4-12(10(5-9)6-13)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyYXXKKUVNXMRZEE-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.34
Rot. Bonds3

About [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine

[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine (PubChem CID 107931460) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
PubChem CID107931460
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
SMILESCc1ccc(Sc2cnn(C)c2)c(CN)c1
InChIInChI=1S/C12H15N3S/c1-9-3-4-12(10(5-9)6-13)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3
InChIKeyYXXKKUVNXMRZEE-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 114893842
[2-(4-methoxyphenyl)sulfanyl-5-methylphenyl]methanamine
CID 107931436
[5-methyl-2-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107931425
[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methanol
CID 63835210
[5-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 107926547
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384655
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64627788
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine
CID 63818212
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
(5-methyl-2-methylsulfanylphenyl)methanamine;hydrochloride
CID 66876860

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine?
The IUPAC name of [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine (CID 107931460) is [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine is Cc1ccc(Sc2cnn(C)c2)c(CN)c1.
What is the InChIKey of [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine?
The InChIKey is YXXKKUVNXMRZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-3-4-12(10(5-9)6-13)16-11-7-14-15(2)8-11/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine?
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 107931460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).