[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine

C12H15N3 — CID 82506261

IUPAC[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
SMILESCc1n[nH]c(C)c1-c1ccccc1CN
InChIInChI=1S/C12H15N3/c1-8-12(9(2)15-14-8)11-6-4-3-5-10(11)7-13/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyQYDYSIMXILXAKI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.15
Rot. Bonds2

About [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine

[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine (PubChem CID 82506261) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
PubChem CID82506261
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
SMILESCc1n[nH]c(C)c1-c1ccccc1CN
InChIInChI=1S/C12H15N3/c1-8-12(9(2)15-14-8)11-6-4-3-5-10(11)7-13/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyQYDYSIMXILXAKI-UHFFFAOYSA-N
XLogP2.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
N-[2-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 64882712
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]ethanamine
CID 82039739
[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 105442686
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481
[2-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386817
[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine
CID 135409013
ethane;(2-phenylphenyl)methanamine
CID 142592948
3,5-dimethyl-4-phenyl-1H-pyrazole;methyl 3-aminopropanoate
CID 153352780
2-[2-(aminomethyl)phenyl]-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618675
4-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 121012476
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine (CID 82506261) is [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine is Cc1n[nH]c(C)c1-c1ccccc1CN.
What is the InChIKey of [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine?
The InChIKey is QYDYSIMXILXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-12(9(2)15-14-8)11-6-4-3-5-10(11)7-13/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine?
[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 82506261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).