2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine

C16H21N3O — CID 105138644

IUPAC2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3O/c17-16(10-13-6-8-20-9-7-13)14-11-18-19(12-14)15-4-2-1-3-5-15/h1-5,11-13,16H,6-10,17H2
InChIKeyFAOVSCZLRBYMDL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds4

About 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine

2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 105138644) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID105138644
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H21N3O/c17-16(10-13-6-8-20-9-7-13)14-11-18-19(12-14)15-4-2-1-3-5-15/h1-5,11-13,16H,6-10,17H2
InChIKeyFAOVSCZLRBYMDL-UHFFFAOYSA-N
XLogP2.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
N-(oxolan-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81328589
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
4-(oxan-4-ylmethoxy)-1-phenylpyrazole
CID 117233853
N-methyl-1-(oxolan-3-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 61276580
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 120790126
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
4-(oxan-4-ylmethylsulfinylmethyl)-1-phenylpyrazole
CID 86781044
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150213

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine (CID 105138644) is 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine is NC(CC1CCOCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is FAOVSCZLRBYMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-16(10-13-6-8-20-9-7-13)14-11-18-19(12-14)15-4-2-1-3-5-15/h1-5,11-13,16H,6-10,17H2.
What are the key properties of 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine?
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105138644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).