1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C15H21N3O — CID 64771008

IUPAC1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCOc1cccc(C(N)Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C15H21N3O/c1-11(2)18-8-7-13(17-18)10-15(16)12-5-4-6-14(9-12)19-3/h4-9,11,15H,10,16H2,1-3H3
InChIKeyVKFKPDAHXHNCFK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 64771008) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID64771008
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCOc1cccc(C(N)Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C15H21N3O/c1-11(2)18-8-7-13(17-18)10-15(16)12-5-4-6-14(9-12)19-3/h4-9,11,15H,10,16H2,1-3H3
InChIKeyVKFKPDAHXHNCFK-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
CID 64785495
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
2-(3-methoxyphenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771886
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 64771008) is 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is COc1cccc(C(N)Cc2ccn(C(C)C)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is VKFKPDAHXHNCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-8-7-13(17-18)10-15(16)12-5-4-6-14(9-12)19-3/h4-9,11,15H,10,16H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64771008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).