[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine

C12H15N3 — CID 66008481

IUPAC[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
SMILESCc1nn(C)cc1-c1ccccc1CN
InChIInChI=1S/C12H15N3/c1-9-12(8-15(2)14-9)11-6-4-3-5-10(11)7-13/h3-6,8H,7,13H2,1-2H3
InChIKeyOUNDWVCIPJHBNA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.85
Rot. Bonds2

About [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine

[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine (PubChem CID 66008481) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
PubChem CID66008481
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
SMILESCc1nn(C)cc1-c1ccccc1CN
InChIInChI=1S/C12H15N3/c1-9-12(8-15(2)14-9)11-6-4-3-5-10(11)7-13/h3-6,8H,7,13H2,1-2H3
InChIKeyOUNDWVCIPJHBNA-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
[5-(1,3-dimethylpyrazol-4-yl)-2-methoxyphenyl]methanamine
CID 66009097
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
CID 144733159
[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 66099328
[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
CID 82506261
1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane
CID 91413155
(2-methylindazol-4-yl)methanamine;dihydrochloride
CID 155749660
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-N-methylaniline
CID 175313734
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine (CID 66008481) is [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine is Cc1nn(C)cc1-c1ccccc1CN.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is OUNDWVCIPJHBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-12(8-15(2)14-9)11-6-4-3-5-10(11)7-13/h3-6,8H,7,13H2,1-2H3.
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine?
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 66008481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).