3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole

C16H18N4 — CID 45036955

IUPAC3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
SMILESc1ccc(C2NNC3C(c4ccccc4)NNC23)cc1
InChIInChI=1S/C16H18N4/c1-3-7-11(8-4-1)13-15-16(20-17-13)14(18-19-15)12-9-5-2-6-10-12/h1-10,13-20H
InChIKeyCMUHTVUMAGXXFZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.42
Rot. Bonds2

About 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole

3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole (PubChem CID 45036955) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole.

Molecular Properties

Compound Name3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
PubChem CID45036955
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
SMILESc1ccc(C2NNC3C(c4ccccc4)NNC23)cc1
InChIInChI=1S/C16H18N4/c1-3-7-11(8-4-1)13-15-16(20-17-13)14(18-19-15)12-9-5-2-6-10-12/h1-10,13-20H
InChIKeyCMUHTVUMAGXXFZ-UHFFFAOYSA-N
XLogP1.42
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diphenylpyrazolidine-4-carbaldehyde
CID 73196349
2-(3,5-diphenylpyrazolidin-4-yl)ethanamine
CID 73386102
(3S,4S)-3-fluoro-4-phenylazetidin-2-one
CID 101430981
(2R,3R)-3-phenylaziridine-2-carbonitrile
CID 13181977
2,3-diphenylpiperazine;hydrochloride
CID 175072756
4-chloro-3-(difluoromethyl)-5-phenylpyrazolidine
CID 71650563
4-bromo-5-phenylpyrazolidine-3-carboxylic acid
CID 75117975
4-bromo-3-phenyl-5-(trifluoromethyl)pyrazolidine
CID 71651308
(3S,4R)-3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 95561844
5-phenyltriazolidine-4-carbonitrile
CID 53435905
4-fluoro-3-phenylpyrazolidine
CID 75297979
methyl 4-bromo-5-phenylpyrazolidine-3-carboxylate
CID 75117972

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole?
The IUPAC name of 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole (CID 45036955) is 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole.
What is the SMILES notation for 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole?
The canonical SMILES for 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole is c1ccc(C2NNC3C(c4ccccc4)NNC23)cc1.
What is the InChIKey of 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole?
The InChIKey is CMUHTVUMAGXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-7-11(8-4-1)13-15-16(20-17-13)14(18-19-15)12-9-5-2-6-10-12/h1-10,13-20H.
What are the key properties of 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole?
3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole has a molecular weight of 266.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole is sourced from PubChem (CID 45036955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).