[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine

C12H15N3 — CID 115093018

IUPAC[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine
SMILESCc1ccccc1Cc1cc(CN)n[nH]1
InChIInChI=1S/C12H15N3/c1-9-4-2-3-5-10(9)6-11-7-12(8-13)15-14-11/h2-5,7H,6,8,13H2,1H3,(H,14,15)
InChIKeyRHEBIRWZHXSBBM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.77
Rot. Bonds3

About [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine

[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine (PubChem CID 115093018) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine
PubChem CID115093018
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine
SMILESCc1ccccc1Cc1cc(CN)n[nH]1
InChIInChI=1S/C12H15N3/c1-9-4-2-3-5-10(9)6-11-7-12(8-13)15-14-11/h2-5,7H,6,8,13H2,1H3,(H,14,15)
InChIKeyRHEBIRWZHXSBBM-UHFFFAOYSA-N
XLogP1.77
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-3-[(2-methylphenyl)methyl]-1H-pyridazin-6-one
CID 117106648
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921
[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115093092
[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115092952
2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline
CID 82469557
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
CID 134708972
6-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 106475667
(2-methylphenyl)methanamine;molecular hydrogen;propane
CID 144873800
3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine
CID 62744192
2-(2-methylphenyl)acetic acid
CID 67440217
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
ethanethial;(2-methylphenyl)methanamine
CID 143288844

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The IUPAC name of [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine (CID 115093018) is [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine is Cc1ccccc1Cc1cc(CN)n[nH]1.
What is the InChIKey of [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The InChIKey is RHEBIRWZHXSBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-4-2-3-5-10(9)6-11-7-12(8-13)15-14-11/h2-5,7H,6,8,13H2,1H3,(H,14,15).
What are the key properties of [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine?
[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 115093018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).