[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine

C12H15N3 — CID 19616721

IUPAC[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cc(C)n(-c2ccccc2CN)n1
InChIInChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)12-6-4-3-5-11(12)8-13/h3-7H,8,13H2,1-2H3
InChIKeyVYQNOSSOUOYTFX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.95
Rot. Bonds2

About [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine

[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine (PubChem CID 19616721) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
PubChem CID19616721
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cc(C)n(-c2ccccc2CN)n1
InChIInChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)12-6-4-3-5-11(12)8-13/h3-7H,8,13H2,1-2H3
InChIKeyVYQNOSSOUOYTFX-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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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine (CID 19616721) is [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine is Cc1cc(C)n(-c2ccccc2CN)n1.
What is the InChIKey of [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is VYQNOSSOUOYTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-7-10(2)15(14-9)12-6-4-3-5-11(12)8-13/h3-7H,8,13H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine?
[2-(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 [2-(3,5-dimethylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 19616721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).