5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C16H16N2O — CID 619798

IUPAC5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H16N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyRRUQCQQERUSQFJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.31
Rot. Bonds3

About 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 619798) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID619798
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H16N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyRRUQCQQERUSQFJ-UHFFFAOYSA-N
XLogP3.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mls002706663
CID 272282
4-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 135505744
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349865
4-(4-Methoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5395481
1H-Pyrazole, 4,5-dihydro-3-(4-methoxyphenyl)-1-phenyl-5-(2-thienyl)-
CID 2818668
3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883145
2-[5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4419144
1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
5-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-N-methyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2951772
(4E)-4-(4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5386456
5-(4-Ethoxyphenyl)-3-(4-methylsulfanylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46888127

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 619798) is 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccccc3)CC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is RRUQCQQERUSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-15-9-7-13(8-10-15)16-11-12-18(17-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 252.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 619798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).