2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine

C16H23N3O — CID 83986338

IUPAC2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C(C)C)nn2C)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)15-9-16(19(3)18-15)14(10-17)12-5-7-13(20-4)8-6-12/h5-9,11,14H,10,17H2,1-4H3
InChIKeyVACQQSHHCVELKQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds5

About 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine

2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine (PubChem CID 83986338) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
PubChem CID83986338
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCOc1ccc(C(CN)c2cc(C(C)C)nn2C)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)15-9-16(19(3)18-15)14(10-17)12-5-7-13(20-4)8-6-12/h5-9,11,14H,10,17H2,1-4H3
InChIKeyVACQQSHHCVELKQ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83986336
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986514
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
2-(4-methoxyphenyl)-2-pyrimidin-2-ylethanamine
CID 82040389
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 96738058
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
CID 83987721
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 83986828
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
CID 83986380
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine (CID 83986338) is 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine is COc1ccc(C(CN)c2cc(C(C)C)nn2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The InChIKey is VACQQSHHCVELKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)15-9-16(19(3)18-15)14(10-17)12-5-7-13(20-4)8-6-12/h5-9,11,14H,10,17H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).