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

C16H23N3O — CID 64785495

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2cccc(OC)c2)n1
InChIInChI=1S/C16H23N3O/c1-4-12(2)19-9-8-14(18-19)11-16(17)13-6-5-7-15(10-13)20-3/h5-10,12,16H,4,11,17H2,1-3H3
InChIKeySLHGKRCRJNUOHF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.11
Rot. Bonds6

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

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 64785495) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
PubChem CID64785495
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)c2cccc(OC)c2)n1
InChIInChI=1S/C16H23N3O/c1-4-12(2)19-9-8-14(18-19)11-16(17)13-6-5-7-15(10-13)20-3/h5-10,12,16H,4,11,17H2,1-3H3
InChIKeySLHGKRCRJNUOHF-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64786047
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
1-[3-[(1-butan-2-ylpyrazol-3-yl)methylsulfanyl]phenyl]ethanamine
CID 64777752
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methyltriazol-4-yl)ethanamine
CID 112735847
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
1-(5-bromofuran-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanamine
CID 104989801
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105154687

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine (CID 64785495) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine is CCC(C)n1ccc(CC(N)c2cccc(OC)c2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is SLHGKRCRJNUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-12(2)19-9-8-14(18-19)11-16(17)13-6-5-7-15(10-13)20-3/h5-10,12,16H,4,11,17H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 64785495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).