3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol

C12H20N2O2 — CID 105482134

IUPAC3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
SMILESCc1nn(C2CCOC2)c(C)c1CCCO
InChIInChI=1S/C12H20N2O2/c1-9-12(4-3-6-15)10(2)14(13-9)11-5-7-16-8-11/h11,15H,3-8H2,1-2H3
InChIKeyXXUMZWXDNVNECS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.39
Rot. Bonds4

About 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol

3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol (PubChem CID 105482134) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
PubChem CID105482134
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
SMILESCc1nn(C2CCOC2)c(C)c1CCCO
InChIInChI=1S/C12H20N2O2/c1-9-12(4-3-6-15)10(2)14(13-9)11-5-7-16-8-11/h11,15H,3-8H2,1-2H3
InChIKeyXXUMZWXDNVNECS-UHFFFAOYSA-N
XLogP1.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol (CID 105482134) is 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol is Cc1nn(C2CCOC2)c(C)c1CCCO.
What is the InChIKey of 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol?
The InChIKey is XXUMZWXDNVNECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-12(4-3-6-15)10(2)14(13-9)11-5-7-16-8-11/h11,15H,3-8H2,1-2H3.
What are the key properties of 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol?
3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 105482134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).