5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine

C12H15N3 — CID 7017840

IUPAC5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1ccccc1Cn1nc(N)cc1C
InChIInChI=1S/C12H15N3/c1-9-5-3-4-6-11(9)8-15-10(2)7-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyRDAZSSHJYVWSPC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.13
Rot. Bonds2

About 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine

5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine (PubChem CID 7017840) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
PubChem CID7017840
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1ccccc1Cn1nc(N)cc1C
InChIInChI=1S/C12H15N3/c1-9-5-3-4-6-11(9)8-15-10(2)7-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyRDAZSSHJYVWSPC-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-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 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine (CID 7017840) is 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine is Cc1ccccc1Cn1nc(N)cc1C.
What is the InChIKey of 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine?
The InChIKey is RDAZSSHJYVWSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-5-3-4-6-11(9)8-15-10(2)7-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine?
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine has a molecular weight of 201.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 7017840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).