(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole

C15H14N2 — CID 12616611

IUPAC(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc([C@H]2C[C@H](c3ccccc3)N=N2)cc1
InChIInChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1
InChIKeyOXKMXFFCZFWVQJ-HUUCEWRRSA-N
MW222.29 g/mol
LogP4.32
Rot. Bonds2

About (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole

(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole (PubChem CID 12616611) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole
PubChem CID12616611
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole
SMILESc1ccc([C@H]2C[C@H](c3ccccc3)N=N2)cc1
InChIInChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1
InChIKeyOXKMXFFCZFWVQJ-HUUCEWRRSA-N
XLogP4.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzhydrylamine
CID 7036
Benzyl azide
CID 12152
1,2-Diphenylethylamine
CID 26482
(1R,2R)-(+)-1,2-Diphenylethylenediamine
CID 2724998
Benzene, 1,1',1''-(azidomethylidyne)tris-
CID 84340
(1S,2S)-1,2-diphenylethane-1,2-diamine
CID 6931238
Meso-1,2-Diphenylethylenediamine
CID 6931234
1,2-Diphenylethane-1,2-diamine
CID 110695
Benzene, (2-azidoethyl)-
CID 145976
1,2-Diphenylethan-1-amine hydrochloride
CID 91161
5H-Dibenzo(a,d)cycloheptene, 5-amino-
CID 208163
Benzhydrylammonium chloride
CID 78921

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole?
The IUPAC name of (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole (CID 12616611) is (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole is c1ccc([C@H]2C[C@H](c3ccccc3)N=N2)cc1.
What is the InChIKey of (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole?
The InChIKey is OXKMXFFCZFWVQJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H14N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-/m1/s1.
What are the key properties of (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole?
(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole has a molecular weight of 222.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 12616611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).