1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine

C14H19N3 — CID 39096752

IUPAC1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1ccc(-c2nn(C)cc2CNC)cc1
InChIInChI=1S/C14H19N3/c1-4-11-5-7-12(8-6-11)14-13(9-15-2)10-17(3)16-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyLOYHAHHWEQUFGG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.37
Rot. Bonds4

About 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine

1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 39096752) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
PubChem CID39096752
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCCc1ccc(-c2nn(C)cc2CNC)cc1
InChIInChI=1S/C14H19N3/c1-4-11-5-7-12(8-6-11)14-13(9-15-2)10-17(3)16-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyLOYHAHHWEQUFGG-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine (CID 39096752) is 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine is CCc1ccc(-c2nn(C)cc2CNC)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is LOYHAHHWEQUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-11-5-7-12(8-6-11)14-13(9-15-2)10-17(3)16-14/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine?
1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 39096752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).