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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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).