1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol

C14H24N2O2 — CID 65165219

IUPAC1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(CCC2CCCO2)c1C
InChIInChI=1S/C14H24N2O2/c1-4-13(17)14-10(2)15-16(11(14)3)8-7-12-6-5-9-18-12/h12-13,17H,4-9H2,1-3H3
InChIKeyVTMZHUKPNOMNAX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.51
Rot. Bonds5

About 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol

1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol (PubChem CID 65165219) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
PubChem CID65165219
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(CCC2CCCO2)c1C
InChIInChI=1S/C14H24N2O2/c1-4-13(17)14-10(2)15-16(11(14)3)8-7-12-6-5-9-18-12/h12-13,17H,4-9H2,1-3H3
InChIKeyVTMZHUKPNOMNAX-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65161690
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
[3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105314270
N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105156786
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 55139422
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 62730904
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731385
3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
CID 65165875
N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65165270
1-[3,5-dimethyl-1-(2-phenylsulfanylethyl)pyrazol-4-yl]propan-1-ol
CID 79227689

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol (CID 65165219) is 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1c(C)nn(CCC2CCCO2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is VTMZHUKPNOMNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-13(17)14-10(2)15-16(11(14)3)8-7-12-6-5-9-18-12/h12-13,17H,4-9H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol?
1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 65165219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).