4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine

C16H23N5O — CID 166635102

IUPAC4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
SMILESCc1ccnn1CCCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H23N5O/c1-14-6-7-19-21(14)10-5-11-22-16-12-15(17-13-18-16)20-8-3-2-4-9-20/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQGAYBIYUOIWNKA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.44
Rot. Bonds6

About 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine

4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine (PubChem CID 166635102) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
PubChem CID166635102
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
SMILESCc1ccnn1CCCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H23N5O/c1-14-6-7-19-21(14)10-5-11-22-16-12-15(17-13-18-16)20-8-3-2-4-9-20/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQGAYBIYUOIWNKA-UHFFFAOYSA-N
XLogP2.44
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine (CID 166635102) is 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine is Cc1ccnn1CCCOc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine?
The InChIKey is QGAYBIYUOIWNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-14-6-7-19-21(14)10-5-11-22-16-12-15(17-13-18-16)20-8-3-2-4-9-20/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine?
4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine has a molecular weight of 301.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 166635102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).