ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole

C13H24N2O — CID 168910366

IUPACethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole
SMILESCC.CC(C)c1ccn(C[C@H]2CCCO2)n1
InChIInChI=1S/C11H18N2O.C2H6/c1-9(2)11-5-6-13(12-11)8-10-4-3-7-14-10;1-2/h5-6,9-10H,3-4,7-8H2,1-2H3;1-2H3/t10-;/m1./s1
InChIKeyGGZZQRBZHWWLSR-HNCPQSOCSA-N
MW224.35 g/mol
LogP3.21
Rot. Bonds3

About ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole

ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole (PubChem CID 168910366) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole
PubChem CID168910366
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole
SMILESCC.CC(C)c1ccn(C[C@H]2CCCO2)n1
InChIInChI=1S/C11H18N2O.C2H6/c1-9(2)11-5-6-13(12-11)8-10-4-3-7-14-10;1-2/h5-6,9-10H,3-4,7-8H2,1-2H3;1-2H3/t10-;/m1./s1
InChIKeyGGZZQRBZHWWLSR-HNCPQSOCSA-N
XLogP3.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]pyrazole
CID 156717552
3-Cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)pyrazole
CID 175828675
3-(2,2-Difluorocyclopropyl)-1-(oxan-2-yl)pyrazole
CID 176113062
1-[(5-Methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 103140270
2-[5-[1-[2,2,2-Trifluoro-1-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 109991066
1-[(5,5-Dimethyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 113544601
1-(Oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621330
(cyclobutylmethyl)[2-(3-methyl-1H-pyrazol-1-yl)ethyl](tetrahydrofuran-2-ylmethyl)amine
CID 91844213
2-(3-Propan-2-ylpyrazol-1-yl)ethanol
CID 20605507
N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine
CID 20605533
3-(3-Propan-2-ylpyrazol-1-yl)propan-1-ol
CID 20605536
3-Propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)pyrazole
CID 20605552

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole?
The IUPAC name of ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole (CID 168910366) is ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole.
What is the SMILES notation for ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole?
The canonical SMILES for ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole is CC.CC(C)c1ccn(C[C@H]2CCCO2)n1.
What is the InChIKey of ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole?
The InChIKey is GGZZQRBZHWWLSR-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-9(2)11-5-6-13(12-11)8-10-4-3-7-14-10;1-2/h5-6,9-10H,3-4,7-8H2,1-2H3;1-2H3/t10-;/m1./s1.
What are the key properties of ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole?
ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole has a molecular weight of 224.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylpyrazole is sourced from PubChem (CID 168910366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).