3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C12H12N2O — CID 121214649

IUPAC3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESc1ccc(-c2n[nH]c3c2COCC3)cc1
InChIInChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-10-8-15-7-6-11(10)13-14-12/h1-5H,6-8H2,(H,13,14)
InChIKeyOKHQJSNJSASUCN-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.15
Rot. Bonds1

About 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 121214649) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID121214649
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESc1ccc(-c2n[nH]c3c2COCC3)cc1
InChIInChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-10-8-15-7-6-11(10)13-14-12/h1-5H,6-8H2,(H,13,14)
InChIKeyOKHQJSNJSASUCN-UHFFFAOYSA-N
XLogP2.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 121214649) is 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is c1ccc(-c2n[nH]c3c2COCC3)cc1.
What is the InChIKey of 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is OKHQJSNJSASUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-10-8-15-7-6-11(10)13-14-12/h1-5H,6-8H2,(H,13,14).
What are the key properties of 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 200.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 121214649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).