3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole

C17H20N2O — CID 166304772

IUPAC3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
SMILESc1cc(C2CC2)ccc1-c1ccn(C2CCOCC2)n1
InChIInChI=1S/C17H20N2O/c1-2-13(1)14-3-5-15(6-4-14)17-7-10-19(18-17)16-8-11-20-12-9-16/h3-7,10,13,16H,1-2,8-9,11-12H2
InChIKeyHORZTILNEIJSBJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.78
Rot. Bonds3

About 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole

3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole (PubChem CID 166304772) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
PubChem CID166304772
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
SMILESc1cc(C2CC2)ccc1-c1ccn(C2CCOCC2)n1
InChIInChI=1S/C17H20N2O/c1-2-13(1)14-3-5-15(6-4-14)17-7-10-19(18-17)16-8-11-20-12-9-16/h3-7,10,13,16H,1-2,8-9,11-12H2
InChIKeyHORZTILNEIJSBJ-UHFFFAOYSA-N
XLogP3.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 174444259
1-[4-[[3-[1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]piperazin-1-yl]ethanone
CID 167981061
4-(4-methylphenyl)oxane
CID 46222621
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole
CID 130570271
1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole
CID 90761360
[1-(oxolan-3-yl)pyrazol-3-yl]methanol
CID 168728333
4-[1-(1-piperidin-4-ylpiperidin-4-yl)pyrazol-3-yl]pyridine
CID 162786162
3-iodo-4-methyl-1-(oxan-4-yl)pyrazole
CID 79787692
4-(3-thiophen-3-ylpyrazol-1-yl)piperidine
CID 121211946
3-tert-butyl-1-(oxolan-3-yl)pyrazole
CID 130570273
1-[4-[3-(4-phenoxyphenyl)pyrazol-1-yl]cyclohexyl]piperazine
CID 90969978

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
The IUPAC name of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole (CID 166304772) is 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole is c1cc(C2CC2)ccc1-c1ccn(C2CCOCC2)n1.
What is the InChIKey of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
The InChIKey is HORZTILNEIJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13(1)14-3-5-15(6-4-14)17-7-10-19(18-17)16-8-11-20-12-9-16/h3-7,10,13,16H,1-2,8-9,11-12H2.
What are the key properties of 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole?
3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole has a molecular weight of 268.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 166304772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).