N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C15H21N3 — CID 115858831

IUPACN-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1ccnn1C
InChIInChI=1S/C15H21N3/c1-5-16-15(14-6-7-17-18(14)4)13-9-11(2)8-12(3)10-13/h6-10,15-16H,5H2,1-4H3
InChIKeyXAKOAJDJIMRZBV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.74
Rot. Bonds4

About N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115858831) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID115858831
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1ccnn1C
InChIInChI=1S/C15H21N3/c1-5-16-15(14-6-7-17-18(14)4)13-9-11(2)8-12(3)10-13/h6-10,15-16H,5H2,1-4H3
InChIKeyXAKOAJDJIMRZBV-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-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858558
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857326
N-[(3-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 113337176
N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858472
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 63963933
(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63960732

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 115858831) is N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1ccnn1C.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is XAKOAJDJIMRZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-16-15(14-6-7-17-18(14)4)13-9-11(2)8-12(3)10-13/h6-10,15-16H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-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-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115858831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).