3-(pyrazol-1-ylmethyl)pentan-3-ol

C9H16N2O — CID 115919466

IUPAC3-(pyrazol-1-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)Cn1cccn1
InChIInChI=1S/C9H16N2O/c1-3-9(12,4-2)8-11-7-5-6-10-11/h5-7,12H,3-4,8H2,1-2H3
InChIKeyPYEICENEIBXEEO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.43
Rot. Bonds4

About 3-(pyrazol-1-ylmethyl)pentan-3-ol

3-(pyrazol-1-ylmethyl)pentan-3-ol (PubChem CID 115919466) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)pentan-3-ol
PubChem CID115919466
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(pyrazol-1-ylmethyl)pentan-3-ol
SMILESCCC(O)(CC)Cn1cccn1
InChIInChI=1S/C9H16N2O/c1-3-9(12,4-2)8-11-7-5-6-10-11/h5-7,12H,3-4,8H2,1-2H3
InChIKeyPYEICENEIBXEEO-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)pentan-3-ol?
The IUPAC name of 3-(pyrazol-1-ylmethyl)pentan-3-ol (CID 115919466) is 3-(pyrazol-1-ylmethyl)pentan-3-ol.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)pentan-3-ol?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)pentan-3-ol is CCC(O)(CC)Cn1cccn1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)pentan-3-ol?
The InChIKey is PYEICENEIBXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(12,4-2)8-11-7-5-6-10-11/h5-7,12H,3-4,8H2,1-2H3.
What are the key properties of 3-(pyrazol-1-ylmethyl)pentan-3-ol?
3-(pyrazol-1-ylmethyl)pentan-3-ol has a molecular weight of 168.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)pentan-3-ol is sourced from PubChem (CID 115919466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).