1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole

C20H20N2 — CID 15453872

IUPAC1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1
InChIInChI=1S/C20H20N2/c1-4-10-16(11-5-1)20-18-14-8-3-9-15-19(18)22(21-20)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyGIWZTQFUECPCLL-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.81
Rot. Bonds2

About 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole

1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole (PubChem CID 15453872) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole.

Molecular Properties

Compound Name1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
PubChem CID15453872
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
SMILESc1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1
InChIInChI=1S/C20H20N2/c1-4-10-16(11-5-1)20-18-14-8-3-9-15-19(18)22(21-20)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyGIWZTQFUECPCLL-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole?
The IUPAC name of 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole (CID 15453872) is 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole.
What is the SMILES notation for 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole?
The canonical SMILES for 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole is c1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1.
What is the InChIKey of 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole?
The InChIKey is GIWZTQFUECPCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-4-10-16(11-5-1)20-18-14-8-3-9-15-19(18)22(21-20)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole?
1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole has a molecular weight of 288.39 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole is sourced from PubChem (CID 15453872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).