N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C15H21N3O — CID 105115211

IUPACN-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)c1ccnn1C
InChIInChI=1S/C15H21N3O/c1-5-16-15(14-8-9-17-18(14)3)13-7-6-12(19-4)10-11(13)2/h6-10,15-16H,5H2,1-4H3
InChIKeyXAQIYHQBIGEJTR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds5

About N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105115211) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID105115211
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1C)c1ccnn1C
InChIInChI=1S/C15H21N3O/c1-5-16-15(14-8-9-17-18(14)3)13-7-6-12(19-4)10-11(13)2/h6-10,15-16H,5H2,1-4H3
InChIKeyXAQIYHQBIGEJTR-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858558
N-[(2,4-difluoro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858665
N-[(2-chloro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106857640
N-[(5-fluoro-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63960984
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105115764
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858472
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 62514109
1-(2,4-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858423
N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858860

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 105115211) is N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccc(OC)cc1C)c1ccnn1C.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is XAQIYHQBIGEJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-16-15(14-8-9-17-18(14)3)13-7-6-12(19-4)10-11(13)2/h6-10,15-16H,5H2,1-4H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105115211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).