[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine

C13H17N3 — CID 66008084

IUPAC[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCCc1nn(C)cc1-c1ccccc1CN
InChIInChI=1S/C13H17N3/c1-3-13-12(9-16(2)15-13)11-7-5-4-6-10(11)8-14/h4-7,9H,3,8,14H2,1-2H3
InChIKeyJBORPCIHXRKWFC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.11
Rot. Bonds3

About [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine

[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine (PubChem CID 66008084) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
PubChem CID66008084
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCCc1nn(C)cc1-c1ccccc1CN
InChIInChI=1S/C13H17N3/c1-3-13-12(9-16(2)15-13)11-7-5-4-6-10(11)8-14/h4-7,9H,3,8,14H2,1-2H3
InChIKeyJBORPCIHXRKWFC-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481
N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66008721
3-(3-ethyl-1-methylpyrazol-4-yl)pyridin-2-amine
CID 66008698
[4-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorophenyl]methanamine
CID 81442406
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
5-(3-ethyl-1-methylpyrazol-4-yl)-4-phenyl-1H-pyrazol-3-amine
CID 102810605
3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
CID 104781283
[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanamine
CID 112671322
[4-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methanamine
CID 66008902
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine
CID 115990627

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine (CID 66008084) is [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine is CCc1nn(C)cc1-c1ccccc1CN.
What is the InChIKey of [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is JBORPCIHXRKWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-13-12(9-16(2)15-13)11-7-5-4-6-10(11)8-14/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine?
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 66008084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).