N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C15H21N3 — CID 43492469

IUPACN-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cccc(C)c1C
InChIInChI=1S/C15H21N3/c1-5-16-15(13-9-17-18(4)10-13)14-8-6-7-11(2)12(14)3/h6-10,15-16H,5H2,1-4H3
InChIKeyOKRNOYKTUAPIFX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds4

About N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43492469) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID43492469
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cccc(C)c1C
InChIInChI=1S/C15H21N3/c1-5-16-15(13-9-17-18(4)10-13)14-8-6-7-11(2)12(14)3/h6-10,15-16H,5H2,1-4H3
InChIKeyOKRNOYKTUAPIFX-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485943
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 82808028
N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816038
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
[(2,3-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289722
N-[(3-methylfuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492376
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 43492469) is N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is OKRNOYKTUAPIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-16-15(13-9-17-18(4)10-13)14-8-6-7-11(2)12(14)3/h6-10,15-16H,5H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43492469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).