1-(3-methylpentan-2-yl)pyrazol-4-ol

C9H16N2O — CID 131054166

IUPAC1-(3-methylpentan-2-yl)pyrazol-4-ol
SMILESCCC(C)C(C)n1cc(O)cn1
InChIInChI=1S/C9H16N2O/c1-4-7(2)8(3)11-6-9(12)5-10-11/h5-8,12H,4H2,1-3H3
InChIKeyGBLXPTAMTNZLOB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.20
Rot. Bonds3

About 1-(3-methylpentan-2-yl)pyrazol-4-ol

1-(3-methylpentan-2-yl)pyrazol-4-ol (PubChem CID 131054166) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-methylpentan-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(3-methylpentan-2-yl)pyrazol-4-ol
PubChem CID131054166
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3-methylpentan-2-yl)pyrazol-4-ol
SMILESCCC(C)C(C)n1cc(O)cn1
InChIInChI=1S/C9H16N2O/c1-4-7(2)8(3)11-6-9(12)5-10-11/h5-8,12H,4H2,1-3H3
InChIKeyGBLXPTAMTNZLOB-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentan-2-yl)pyrazol-4-ol?
The IUPAC name of 1-(3-methylpentan-2-yl)pyrazol-4-ol (CID 131054166) is 1-(3-methylpentan-2-yl)pyrazol-4-ol.
What is the SMILES notation for 1-(3-methylpentan-2-yl)pyrazol-4-ol?
The canonical SMILES for 1-(3-methylpentan-2-yl)pyrazol-4-ol is CCC(C)C(C)n1cc(O)cn1.
What is the InChIKey of 1-(3-methylpentan-2-yl)pyrazol-4-ol?
The InChIKey is GBLXPTAMTNZLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-7(2)8(3)11-6-9(12)5-10-11/h5-8,12H,4H2,1-3H3.
What are the key properties of 1-(3-methylpentan-2-yl)pyrazol-4-ol?
1-(3-methylpentan-2-yl)pyrazol-4-ol has a molecular weight of 168.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentan-2-yl)pyrazol-4-ol is sourced from PubChem (CID 131054166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).