3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol

C11H20N2O — CID 141317490

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol
SMILESCCC(CCO)Cn1nc(C)cc1C
InChIInChI=1S/C11H20N2O/c1-4-11(5-6-14)8-13-10(3)7-9(2)12-13/h7,11,14H,4-6,8H2,1-3H3
InChIKeyBAVKMKUHOWBEME-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.91
Rot. Bonds5

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol

3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol (PubChem CID 141317490) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol
PubChem CID141317490
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol
SMILESCCC(CCO)Cn1nc(C)cc1C
InChIInChI=1S/C11H20N2O/c1-4-11(5-6-14)8-13-10(3)7-9(2)12-13/h7,11,14H,4-6,8H2,1-3H3
InChIKeyBAVKMKUHOWBEME-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol (CID 141317490) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol is CCC(CCO)Cn1nc(C)cc1C.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol?
The InChIKey is BAVKMKUHOWBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-11(5-6-14)8-13-10(3)7-9(2)12-13/h7,11,14H,4-6,8H2,1-3H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol?
3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]pentan-1-ol is sourced from PubChem (CID 141317490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).