3-tert-butyl-1-(oxolan-3-yl)pyrazole

C11H18N2O — CID 130570273

IUPAC3-tert-butyl-1-(oxolan-3-yl)pyrazole
SMILESCC(C)(C)c1ccn(C2CCOC2)n1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10-4-6-13(12-10)9-5-7-14-8-9/h4,6,9H,5,7-8H2,1-3H3
InChIKeyGXBYRJOVYYOCIS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.14
Rot. Bonds1

About 3-tert-butyl-1-(oxolan-3-yl)pyrazole

3-tert-butyl-1-(oxolan-3-yl)pyrazole (PubChem CID 130570273) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-tert-butyl-1-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Name3-tert-butyl-1-(oxolan-3-yl)pyrazole
PubChem CID130570273
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-tert-butyl-1-(oxolan-3-yl)pyrazole
SMILESCC(C)(C)c1ccn(C2CCOC2)n1
InChIInChI=1S/C11H18N2O/c1-11(2,3)10-4-6-13(12-10)9-5-7-14-8-9/h4,6,9H,5,7-8H2,1-3H3
InChIKeyGXBYRJOVYYOCIS-UHFFFAOYSA-N
XLogP2.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole
CID 107137610
[1-(oxolan-3-yl)pyrazol-3-yl]methanol
CID 168728333
3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
CID 157041913
3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole
CID 130570271
5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-amine
CID 167555491
1-(oxolan-3-yl)imidazole
CID 63810500
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
5-tert-butyl-1-(oxetan-3-yl)pyrazole
CID 177281776
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
3-iodo-1-(oxetan-3-yl)pyrazole
CID 67342544
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(oxolan-3-yl)pyrazole?
The IUPAC name of 3-tert-butyl-1-(oxolan-3-yl)pyrazole (CID 130570273) is 3-tert-butyl-1-(oxolan-3-yl)pyrazole.
What is the SMILES notation for 3-tert-butyl-1-(oxolan-3-yl)pyrazole?
The canonical SMILES for 3-tert-butyl-1-(oxolan-3-yl)pyrazole is CC(C)(C)c1ccn(C2CCOC2)n1.
What is the InChIKey of 3-tert-butyl-1-(oxolan-3-yl)pyrazole?
The InChIKey is GXBYRJOVYYOCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)10-4-6-13(12-10)9-5-7-14-8-9/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(oxolan-3-yl)pyrazole?
3-tert-butyl-1-(oxolan-3-yl)pyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 130570273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).