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

C20H16N2O2 — CID 75510830

IUPAC[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccco2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-20(16-10-5-2-6-11-16)22-18(15-8-3-1-4-9-15)14-17(21-22)19-12-7-13-24-19/h1-13,18H,14H2
InChIKeyPBGSLYTYVRUBRQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.27
Rot. Bonds3

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

[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 75510830) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID75510830
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccco2)CC1c1ccccc1
InChIInChI=1S/C20H16N2O2/c23-20(16-10-5-2-6-11-16)22-18(15-8-3-1-4-9-15)14-17(21-22)19-12-7-13-24-19/h1-13,18H,14H2
InChIKeyPBGSLYTYVRUBRQ-UHFFFAOYSA-N
XLogP4.27
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.27
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
[(3S)-3-(4-fluorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 41062784
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 75454349
(2-chlorophenyl)-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 72716842
(2-chlorophenyl)-[5-(furan-2-yl)-3-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 119038819
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
1-[(3R)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092958
[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1039127
1-[5-(furan-2-yl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 53317215
1-[5-(furan-2-yl)-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 15716865

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 75510830) is [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccco2)CC1c1ccccc1.
What is the InChIKey of [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is PBGSLYTYVRUBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-20(16-10-5-2-6-11-16)22-18(15-8-3-1-4-9-15)14-17(21-22)19-12-7-13-24-19/h1-13,18H,14H2.
What are the key properties of [5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 316.36 g/mol, XLogP of 4.27, 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-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 75510830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).