5-(3-methylpyrazol-1-yl)heptan-2-ol

C11H20N2O — CID 165398704

IUPAC5-(3-methylpyrazol-1-yl)heptan-2-ol
SMILESCCC(CCC(C)O)n1ccc(C)n1
InChIInChI=1S/C11H20N2O/c1-4-11(6-5-10(3)14)13-8-7-9(2)12-13/h7-8,10-11,14H,4-6H2,1-3H3
InChIKeyQYIKVNCLHOAHAM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds5

About 5-(3-methylpyrazol-1-yl)heptan-2-ol

5-(3-methylpyrazol-1-yl)heptan-2-ol (PubChem CID 165398704) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(3-methylpyrazol-1-yl)heptan-2-ol.

Molecular Properties

Compound Name5-(3-methylpyrazol-1-yl)heptan-2-ol
PubChem CID165398704
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-(3-methylpyrazol-1-yl)heptan-2-ol
SMILESCCC(CCC(C)O)n1ccc(C)n1
InChIInChI=1S/C11H20N2O/c1-4-11(6-5-10(3)14)13-8-7-9(2)12-13/h7-8,10-11,14H,4-6H2,1-3H3
InChIKeyQYIKVNCLHOAHAM-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrazol-1-yl)heptan-2-ol?
The IUPAC name of 5-(3-methylpyrazol-1-yl)heptan-2-ol (CID 165398704) is 5-(3-methylpyrazol-1-yl)heptan-2-ol.
What is the SMILES notation for 5-(3-methylpyrazol-1-yl)heptan-2-ol?
The canonical SMILES for 5-(3-methylpyrazol-1-yl)heptan-2-ol is CCC(CCC(C)O)n1ccc(C)n1.
What is the InChIKey of 5-(3-methylpyrazol-1-yl)heptan-2-ol?
The InChIKey is QYIKVNCLHOAHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-11(6-5-10(3)14)13-8-7-9(2)12-13/h7-8,10-11,14H,4-6H2,1-3H3.
What are the key properties of 5-(3-methylpyrazol-1-yl)heptan-2-ol?
5-(3-methylpyrazol-1-yl)heptan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrazol-1-yl)heptan-2-ol is sourced from PubChem (CID 165398704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).