2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine

C17H23N3O — CID 166637790

IUPAC2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine
SMILESNCCc1ccc(-c2cnn(CC3CCOCC3)c2)cc1
InChIInChI=1S/C17H23N3O/c18-8-5-14-1-3-16(4-2-14)17-11-19-20(13-17)12-15-6-9-21-10-7-15/h1-4,11,13,15H,5-10,12,18H2
InChIKeyGTCKPTCAHOSMEJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds5

About 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine

2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine (PubChem CID 166637790) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine
PubChem CID166637790
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine
SMILESNCCc1ccc(-c2cnn(CC3CCOCC3)c2)cc1
InChIInChI=1S/C17H23N3O/c18-8-5-14-1-3-16(4-2-14)17-11-19-20(13-17)12-15-6-9-21-10-7-15/h1-4,11,13,15H,5-10,12,18H2
InChIKeyGTCKPTCAHOSMEJ-UHFFFAOYSA-N
XLogP2.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(cyclobutylmethyl)pyrazol-4-yl]phenyl]ethanamine
CID 166637784
2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
CID 166637809
4-(2-iodophenyl)-1-(oxan-4-ylmethyl)pyrazole
CID 79787929
[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol
CID 172677635
3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
CID 122240718
5-chloro-2-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]aniline
CID 171916733
3-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzonitrile
CID 170855202
3-bromo-5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzonitrile
CID 172990879
2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637762
[2-fluoro-5-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]methanol
CID 171906147
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine (CID 166637790) is 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine is NCCc1ccc(-c2cnn(CC3CCOCC3)c2)cc1.
What is the InChIKey of 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine?
The InChIKey is GTCKPTCAHOSMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-8-5-14-1-3-16(4-2-14)17-11-19-20(13-17)12-15-6-9-21-10-7-15/h1-4,11,13,15H,5-10,12,18H2.
What are the key properties of 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine?
2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine is sourced from PubChem (CID 166637790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).