1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C16H23N3O — CID 106791641

IUPAC1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C16H23N3O/c1-11(2)19-8-7-13(18-19)10-15(17)14-6-5-12(3)9-16(14)20-4/h5-9,11,15H,10,17H2,1-4H3
InChIKeyKTVXISVTEHTGDN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 106791641) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID106791641
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C16H23N3O/c1-11(2)19-8-7-13(18-19)10-15(17)14-6-5-12(3)9-16(14)20-4/h5-9,11,15H,10,17H2,1-4H3
InChIKeyKTVXISVTEHTGDN-UHFFFAOYSA-N
XLogP3.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114906238
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791515
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107985060
[1-(5-chloro-2-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312734
1-(4-bromo-2-methoxyphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990055
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 106791641) is 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is COc1cc(C)ccc1C(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is KTVXISVTEHTGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)19-8-7-13(18-19)10-15(17)14-6-5-12(3)9-16(14)20-4/h5-9,11,15H,10,17H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106791641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).