[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine

C13H17N3 — CID 83534323

IUPAC[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine
SMILESCc1ccc(Cn2nc(C)cc2CN)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-12(6-4-10)9-16-13(8-14)7-11(2)15-16/h3-7H,8-9,14H2,1-2H3
InChIKeyQODUKLOYCMQWEF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.01
Rot. Bonds3

About [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine

[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine (PubChem CID 83534323) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine
PubChem CID83534323
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine
SMILESCc1ccc(Cn2nc(C)cc2CN)cc1
InChIInChI=1S/C13H17N3/c1-10-3-5-12(6-4-10)9-16-13(8-14)7-11(2)15-16/h3-7H,8-9,14H2,1-2H3
InChIKeyQODUKLOYCMQWEF-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine
CID 16792269
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62679998
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
CID 105162471
2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
CID 82072030
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
CID 82692087
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzaldehyde
CID 166920797

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine?
The IUPAC name of [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine (CID 83534323) is [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine?
The canonical SMILES for [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine is Cc1ccc(Cn2nc(C)cc2CN)cc1.
What is the InChIKey of [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine?
The InChIKey is QODUKLOYCMQWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-5-12(6-4-10)9-16-13(8-14)7-11(2)15-16/h3-7H,8-9,14H2,1-2H3.
What are the key properties of [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine?
[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 83534323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).