[2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine

C14H19N3 — CID 105487125

IUPAC[2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
SMILESCc1cc(-c2ccccc2CN)n(C(C)C)n1
InChIInChI=1S/C14H19N3/c1-10(2)17-14(8-11(3)16-17)13-7-5-4-6-12(13)9-15/h4-8,10H,9,15H2,1-3H3
InChIKeyMHGOAGYDYOSOKV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.90
Rot. Bonds3

About [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine

[2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine (PubChem CID 105487125) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
PubChem CID105487125
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
SMILESCc1cc(-c2ccccc2CN)n(C(C)C)n1
InChIInChI=1S/C14H19N3/c1-10(2)17-14(8-11(3)16-17)13-7-5-4-6-12(13)9-15/h4-8,10H,9,15H2,1-3H3
InChIKeyMHGOAGYDYOSOKV-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine
CID 16792269
4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine
CID 70851780
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481
2-[2-(aminomethyl)phenyl]-5-methylpyrazol-3-amine
CID 84776867
3-(5-methyl-2-propan-2-ylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006555
[2-(2-propylpyrazol-3-yl)phenyl]methanamine
CID 63974811
[2-(2-phenylpyrazol-3-yl)phenyl]methanamine
CID 107330991
ethane;(2-phenylphenyl)methanamine
CID 142592948
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
CID 82506261
[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine
CID 105487158
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
The IUPAC name of [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine (CID 105487125) is [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine is Cc1cc(-c2ccccc2CN)n(C(C)C)n1.
What is the InChIKey of [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
The InChIKey is MHGOAGYDYOSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)17-14(8-11(3)16-17)13-7-5-4-6-12(13)9-15/h4-8,10H,9,15H2,1-3H3.
What are the key properties of [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine?
[2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-propan-2-ylpyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 105487125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).