4-cyclopentyl-1-methylpyrazole;propane-2,2-diol

C12H22N2O2 — CID 167462179

IUPAC4-cyclopentyl-1-methylpyrazole;propane-2,2-diol
SMILESCC(C)(O)O.Cn1cc(C2CCCC2)cn1
InChIInChI=1S/C9H14N2.C3H8O2/c1-11-7-9(6-10-11)8-4-2-3-5-8;1-3(2,4)5/h6-8H,2-5H2,1H3;4-5H,1-2H3
InChIKeyJYLCUYLIWGMWOG-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.78
Rot. Bonds1

About 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol

4-cyclopentyl-1-methylpyrazole;propane-2,2-diol (PubChem CID 167462179) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol.

Molecular Properties

Compound Name4-cyclopentyl-1-methylpyrazole;propane-2,2-diol
PubChem CID167462179
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-cyclopentyl-1-methylpyrazole;propane-2,2-diol
SMILESCC(C)(O)O.Cn1cc(C2CCCC2)cn1
InChIInChI=1S/C9H14N2.C3H8O2/c1-11-7-9(6-10-11)8-4-2-3-5-8;1-3(2,4)5/h6-8H,2-5H2,1H3;4-5H,1-2H3
InChIKeyJYLCUYLIWGMWOG-UHFFFAOYSA-N
XLogP1.78
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol?
The IUPAC name of 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol (CID 167462179) is 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol.
What is the SMILES notation for 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol?
The canonical SMILES for 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol is CC(C)(O)O.Cn1cc(C2CCCC2)cn1.
What is the InChIKey of 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol?
The InChIKey is JYLCUYLIWGMWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C3H8O2/c1-11-7-9(6-10-11)8-4-2-3-5-8;1-3(2,4)5/h6-8H,2-5H2,1H3;4-5H,1-2H3.
What are the key properties of 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol?
4-cyclopentyl-1-methylpyrazole;propane-2,2-diol has a molecular weight of 226.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-methylpyrazole;propane-2,2-diol is sourced from PubChem (CID 167462179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).