[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone

C22H20N2O2 — CID 75454349

IUPAC[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
SMILESCc1cccc(C2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1
InChIInChI=1S/C22H20N2O2/c1-15-7-5-9-17(13-15)20-14-19(21-11-6-12-26-21)23-24(20)22(25)18-10-4-3-8-16(18)2/h3-13,20H,14H2,1-2H3
InChIKeyPZKRFJDOJOVOHU-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.89
Rot. Bonds3

About [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone

[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone (PubChem CID 75454349) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
PubChem CID75454349
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
SMILESCc1cccc(C2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1
InChIInChI=1S/C22H20N2O2/c1-15-7-5-9-17(13-15)20-14-19(21-11-6-12-26-21)23-24(20)22(25)18-10-4-3-8-16(18)2/h3-13,20H,14H2,1-2H3
InChIKeyPZKRFJDOJOVOHU-UHFFFAOYSA-N
XLogP4.89
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
(2-chlorophenyl)-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 72716842
3-(diethylamino)-1-[(3R)-5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 99798482
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 851183
1-[(3R)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092958
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 119038819
1-[5-(furan-2-yl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 53317215
N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71848033
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone (CID 75454349) is [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone is Cc1cccc(C2CC(c3ccco3)=NN2C(=O)c2ccccc2C)c1.
What is the InChIKey of [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
The InChIKey is PZKRFJDOJOVOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-7-5-9-17(13-15)20-14-19(21-11-6-12-26-21)23-24(20)22(25)18-10-4-3-8-16(18)2/h3-13,20H,14H2,1-2H3.
What are the key properties of [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone?
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone has a molecular weight of 344.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 75454349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).