1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine

C14H19N3S — CID 63818212

IUPAC1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine
SMILESCc1cc(Sc2cnn(C)c2)ccc1CC(C)N
InChIInChI=1S/C14H19N3S/c1-10-6-13(5-4-12(10)7-11(2)15)18-14-8-16-17(3)9-14/h4-6,8-9,11H,7,15H2,1-3H3
InChIKeyWXKLMBXTAQYSRE-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.77
Rot. Bonds4

About 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine

1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine (PubChem CID 63818212) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine
PubChem CID63818212
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine
SMILESCc1cc(Sc2cnn(C)c2)ccc1CC(C)N
InChIInChI=1S/C14H19N3S/c1-10-6-13(5-4-12(10)7-11(2)15)18-14-8-16-17(3)9-14/h4-6,8-9,11H,7,15H2,1-3H3
InChIKeyWXKLMBXTAQYSRE-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 55259629
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]propan-2-amine
CID 55238926
2-methoxy-N-[[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]ethanamine
CID 63812718
1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine
CID 63817878
3-[4-(2-aminopropyl)-3-methylphenyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 63818493
4-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384658
[5-methyl-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methanamine
CID 107931460
1-[4-chloro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]butan-2-amine
CID 114866413
1-[4-(1,3-benzoxazol-2-ylsulfanyl)-2-methylphenyl]propan-2-amine
CID 63818440
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-[2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]butan-2-amine
CID 63819970
1-[2-methyl-4-[(3-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63819534

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine (CID 63818212) is 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine is Cc1cc(Sc2cnn(C)c2)ccc1CC(C)N.
What is the InChIKey of 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine?
The InChIKey is WXKLMBXTAQYSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-6-13(5-4-12(10)7-11(2)15)18-14-8-16-17(3)9-14/h4-6,8-9,11H,7,15H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine?
1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 63818212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).