3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine

C14H19N3S — CID 66025729

IUPAC3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1cccc(Sc2c(N)c(C)nn2C(C)C)c1
InChIInChI=1S/C14H19N3S/c1-9(2)17-14(13(15)11(4)16-17)18-12-7-5-6-10(3)8-12/h5-9H,15H2,1-4H3
InChIKeyDVWAIBNZXABTSA-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.81
Rot. Bonds3

About 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine

3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66025729) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66025729
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1cccc(Sc2c(N)c(C)nn2C(C)C)c1
InChIInChI=1S/C14H19N3S/c1-9(2)17-14(13(15)11(4)16-17)18-12-7-5-6-10(3)8-12/h5-9H,15H2,1-4H3
InChIKeyDVWAIBNZXABTSA-UHFFFAOYSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine (CID 66025729) is 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine is Cc1cccc(Sc2c(N)c(C)nn2C(C)C)c1.
What is the InChIKey of 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is DVWAIBNZXABTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(2)17-14(13(15)11(4)16-17)18-12-7-5-6-10(3)8-12/h5-9H,15H2,1-4H3.
What are the key properties of 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine?
3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylphenyl)sulfanyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66025729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).