[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine

C12H15N3 — CID 16640534

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cc(C)n(-c2ccc(CN)cc2)n1
InChIInChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)12-5-3-11(8-13)4-6-12/h3-7H,8,13H2,1-2H3
InChIKeyPARNNKGLJSIUFI-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.95
Rot. Bonds2

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine

[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine (PubChem CID 16640534) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
PubChem CID16640534
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cc(C)n(-c2ccc(CN)cc2)n1
InChIInChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)12-5-3-11(8-13)4-6-12/h3-7H,8,13H2,1-2H3
InChIKeyPARNNKGLJSIUFI-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine (CID 16640534) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine is Cc1cc(C)n(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is PARNNKGLJSIUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)12-5-3-11(8-13)4-6-12/h3-7H,8,13H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 16640534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).