3-(1,5-dipentylpyrazol-3-yl)propan-1-ol

C16H30N2O — CID 67868150

IUPAC3-(1,5-dipentylpyrazol-3-yl)propan-1-ol
SMILESCCCCCc1cc(CCCO)nn1CCCCC
InChIInChI=1S/C16H30N2O/c1-3-5-7-11-16-14-15(10-9-13-19)17-18(16)12-8-6-4-2/h14,19H,3-13H2,1-2H3
InChIKeyJDDSOOAUVXRWEC-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.73
Rot. Bonds11

About 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol

3-(1,5-dipentylpyrazol-3-yl)propan-1-ol (PubChem CID 67868150) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,5-dipentylpyrazol-3-yl)propan-1-ol
PubChem CID67868150
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-(1,5-dipentylpyrazol-3-yl)propan-1-ol
SMILESCCCCCc1cc(CCCO)nn1CCCCC
InChIInChI=1S/C16H30N2O/c1-3-5-7-11-16-14-15(10-9-13-19)17-18(16)12-8-6-4-2/h14,19H,3-13H2,1-2H3
InChIKeyJDDSOOAUVXRWEC-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol (CID 67868150) is 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol is CCCCCc1cc(CCCO)nn1CCCCC.
What is the InChIKey of 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol?
The InChIKey is JDDSOOAUVXRWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-5-7-11-16-14-15(10-9-13-19)17-18(16)12-8-6-4-2/h14,19H,3-13H2,1-2H3.
What are the key properties of 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol?
3-(1,5-dipentylpyrazol-3-yl)propan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dipentylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 67868150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).