1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole

C11H18N2O — CID 168910509

IUPAC1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(CC2CCCO2)n1
InChIInChI=1S/C11H18N2O/c1-9(2)11-5-6-13(12-11)8-10-4-3-7-14-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyLDFZJOSEKIUDQQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.19
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole

1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole (PubChem CID 168910509) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole
PubChem CID168910509
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole
SMILESCC(C)c1ccn(CC2CCCO2)n1
InChIInChI=1S/C11H18N2O/c1-9(2)11-5-6-13(12-11)8-10-4-3-7-14-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyLDFZJOSEKIUDQQ-UHFFFAOYSA-N
XLogP2.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.19
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 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole (CID 168910509) is 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole is CC(C)c1ccn(CC2CCCO2)n1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole?
The InChIKey is LDFZJOSEKIUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)11-5-6-13(12-11)8-10-4-3-7-14-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole?
1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 168910509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).