[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C23H20N2O2 — CID 6737699

IUPAC[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-27-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)24-25(22)23(26)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3
InChIKeyRUCJWNKITTZCTF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.69
Rot. Bonds4

About [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 6737699) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID6737699
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-27-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)24-25(22)23(26)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3
InChIKeyRUCJWNKITTZCTF-UHFFFAOYSA-N
XLogP4.69
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-1-[4-[4-[3-(azepan-1-yl)propoxy]phenyl]butyl]pyrrolidin-2-yl]methyl]-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 24803638
2-Methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
CID 56665357
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]phthalazin-1-one
CID 56668789
N-(2-(3,4-Dimethoxyphenyl)ethyl)-3,4-dihydro-3-methyl-4-oxo-1-phthalazineacetamide
CID 1072359
(3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 3755793
2-Benzyl-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 10980260
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
N-formyl-5-(-4'-methoxyphenyl)-3-phenylpyrazoline (1g)
CID 12671426
4-[(4-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937526
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
5-(4-methoxyphenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2960511

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 6737699) is [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is COc1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccccc2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is RUCJWNKITTZCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-27-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)24-25(22)23(26)19-10-6-3-7-11-19/h2-15,22H,16H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 356.43 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 6737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).