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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Related Compounds

1-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096770
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758
N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
CID 79490898
N-[[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485212
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
1-[3-(3-fluoro-4-methylsulfonylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 79484620
N-[[3-(4-bromophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79484462
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
CID 119123580
4-[4-[(cyclopropylamino)methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 79485147
N-[[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]methyl]-1-(4-propoxyphenyl)methanamine
CID 119108095
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845

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).