2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine

C16H23N3O — CID 104626899

IUPAC2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1ccc(CNCCc2ccn(C)n2)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)20-16-6-4-14(5-7-16)12-17-10-8-15-9-11-19(3)18-15/h4-7,9,11,13,17H,8,10,12H2,1-3H3
InChIKeyPCBOBZCLCVDSMH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds7

About 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine

2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 104626899) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID104626899
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1ccc(CNCCc2ccn(C)n2)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)20-16-6-4-14(5-7-16)12-17-10-8-15-9-11-19(3)18-15/h4-7,9,11,13,17H,8,10,12H2,1-3H3
InChIKeyPCBOBZCLCVDSMH-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
2-[4-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]phenyl]propanoic acid
CID 106105581
N-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626842
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626984
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104550
2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
3,3-diethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106104477
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54893446

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 104626899) is 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is CC(C)Oc1ccc(CNCCc2ccn(C)n2)cc1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is PCBOBZCLCVDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)20-16-6-4-14(5-7-16)12-17-10-8-15-9-11-19(3)18-15/h4-7,9,11,13,17H,8,10,12H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104626899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).