5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole

C18H22N2O — CID 167799237

IUPAC5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole
SMILESc1cc2c(c(-c3cn[nH]c3C3CCOCC3)c1)CCCC2
InChIInChI=1S/C18H22N2O/c1-2-6-15-13(4-1)5-3-7-16(15)17-12-19-20-18(17)14-8-10-21-11-9-14/h3,5,7,12,14H,1-2,4,6,8-11H2,(H,19,20)
InChIKeyKYPRSAUKYYHBGX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.85
Rot. Bonds2

About 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole

5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole (PubChem CID 167799237) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole
PubChem CID167799237
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole
SMILESc1cc2c(c(-c3cn[nH]c3C3CCOCC3)c1)CCCC2
InChIInChI=1S/C18H22N2O/c1-2-6-15-13(4-1)5-3-7-16(15)17-12-19-20-18(17)14-8-10-21-11-9-14/h3,5,7,12,14H,1-2,4,6,8-11H2,(H,19,20)
InChIKeyKYPRSAUKYYHBGX-UHFFFAOYSA-N
XLogP3.85
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole?
The IUPAC name of 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole (CID 167799237) is 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole.
What is the SMILES notation for 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole?
The canonical SMILES for 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole is c1cc2c(c(-c3cn[nH]c3C3CCOCC3)c1)CCCC2.
What is the InChIKey of 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole?
The InChIKey is KYPRSAUKYYHBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-15-13(4-1)5-3-7-16(15)17-12-19-20-18(17)14-8-10-21-11-9-14/h3,5,7,12,14H,1-2,4,6,8-11H2,(H,19,20).
What are the key properties of 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole?
5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole has a molecular weight of 282.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-pyrazole is sourced from PubChem (CID 167799237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).