1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

C17H25N3O — CID 103905160

IUPAC1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(C)COc1ccc(C(C)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C17H25N3O/c1-12(2)11-21-17-7-5-15(6-8-17)13(3)20-14(4)16-9-18-19-10-16/h5-10,12-14,20H,11H2,1-4H3,(H,18,19)
InChIKeyPDJKIGURMLGUBJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.86
Rot. Bonds7

About 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (PubChem CID 103905160) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
PubChem CID103905160
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(C)COc1ccc(C(C)NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C17H25N3O/c1-12(2)11-21-17-7-5-15(6-8-17)13(3)20-14(4)16-9-18-19-10-16/h5-10,12-14,20H,11H2,1-4H3,(H,18,19)
InChIKeyPDJKIGURMLGUBJ-UHFFFAOYSA-N
XLogP3.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]phenoxy]acetonitrile
CID 103922081
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905228
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 103905105
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanenitrile
CID 43207709
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209383
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82239705
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (CID 103905160) is 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is CC(C)COc1ccc(C(C)NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The InChIKey is PDJKIGURMLGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)11-21-17-7-5-15(6-8-17)13(3)20-14(4)16-9-18-19-10-16/h5-10,12-14,20H,11H2,1-4H3,(H,18,19).
What are the key properties of 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103905160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).