1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine

C14H19N3 — CID 105408840

IUPAC1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine
SMILESCCn1nccc1-c1cc(CNC)ccc1C
InChIInChI=1S/C14H19N3/c1-4-17-14(7-8-16-17)13-9-12(10-15-3)6-5-11(13)2/h5-9,15H,4,10H2,1-3H3
InChIKeyXWJIQGHJAVMMRJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds4

About 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine

1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine (PubChem CID 105408840) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine
PubChem CID105408840
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine
SMILESCCn1nccc1-c1cc(CNC)ccc1C
InChIInChI=1S/C14H19N3/c1-4-17-14(7-8-16-17)13-9-12(10-15-3)6-5-11(13)2/h5-9,15H,4,10H2,1-3H3
InChIKeyXWJIQGHJAVMMRJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine
CID 105408843
3-(2-ethylpyrazol-3-yl)-4-methylbenzaldehyde
CID 105408142
1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410126
1-[2-(2-ethylpyrazol-3-yl)-5-nitrophenyl]-N-methylmethanamine;hydrochloride
CID 162305249
1-[4-fluoro-3-(2-phenylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 107331058
2-(2-ethylpyrazol-3-yl)aniline
CID 63976936
N-methyl-1-[4-methyl-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 105410059
1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105410094
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]ethanamine
CID 105409982
N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine (CID 105408840) is 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine is CCn1nccc1-c1cc(CNC)ccc1C.
What is the InChIKey of 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine?
The InChIKey is XWJIQGHJAVMMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-17-14(7-8-16-17)13-9-12(10-15-3)6-5-11(13)2/h5-9,15H,4,10H2,1-3H3.
What are the key properties of 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine?
1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 105408840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).