3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine

C16H23N3O — CID 164914451

IUPAC3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine
SMILESCCC(CCN)n1ccc(OCc2ccc(C)cc2)n1
InChIInChI=1S/C16H23N3O/c1-3-15(8-10-17)19-11-9-16(18-19)20-12-14-6-4-13(2)5-7-14/h4-7,9,11,15H,3,8,10,12,17H2,1-2H3
InChIKeyOBMSPUZKGPRTLK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.07
Rot. Bonds7

About 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine

3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine (PubChem CID 164914451) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine
PubChem CID164914451
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine
SMILESCCC(CCN)n1ccc(OCc2ccc(C)cc2)n1
InChIInChI=1S/C16H23N3O/c1-3-15(8-10-17)19-11-9-16(18-19)20-12-14-6-4-13(2)5-7-14/h4-7,9,11,15H,3,8,10,12,17H2,1-2H3
InChIKeyOBMSPUZKGPRTLK-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(1-aminopentan-3-yl)pyrazol-3-yl]oxymethyl]-3-fluorobenzonitrile
CID 164914842
ethane;(3S)-3-[(4-methylphenyl)methoxy]hexan-1-amine
CID 169195636
1-hexan-3-yl-3-methylpyrazole
CID 130192480
2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione
CID 62651246
4-methyl-2-(4-methylphenyl)-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95923110
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
[5-chloro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64800984
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-[4-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]acetonitrile
CID 64800919
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
2-ethyl-4-[(4-methylphenyl)methoxy]-6-propan-2-ylpyrimidine
CID 95923442
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine?
The IUPAC name of 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine (CID 164914451) is 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine?
The canonical SMILES for 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine is CCC(CCN)n1ccc(OCc2ccc(C)cc2)n1.
What is the InChIKey of 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine?
The InChIKey is OBMSPUZKGPRTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-15(8-10-17)19-11-9-16(18-19)20-12-14-6-4-13(2)5-7-14/h4-7,9,11,15H,3,8,10,12,17H2,1-2H3.
What are the key properties of 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine?
3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine is sourced from PubChem (CID 164914451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).