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

C19H16N2O3 — CID 7164021

IUPAC[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1
InChIInChI=1S/C19H16N2O3/c1-13-6-8-14(9-7-13)19(22)21-16(18-5-3-11-24-18)12-15(20-21)17-4-2-10-23-17/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyFITDEXMDUPKSTR-MRXNPFEDSA-N
MW320.35 g/mol
LogP4.17
Rot. Bonds3

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

[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (PubChem CID 7164021) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
PubChem CID7164021
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1
InChIInChI=1S/C19H16N2O3/c1-13-6-8-14(9-7-13)19(22)21-16(18-5-3-11-24-18)12-15(20-21)17-4-2-10-23-17/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyFITDEXMDUPKSTR-MRXNPFEDSA-N
XLogP4.17
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1234328
(4-bromophenyl)-[(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]methanone
CID 40971632
(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 7179869
[5-(furan-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 75510830
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 851183
[(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1039127
(2-fluorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 948371
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
[3-(furan-2-yl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
CID 135541366
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
CID 78792990

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone (CID 7164021) is [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1.
What is the InChIKey of [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is FITDEXMDUPKSTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13-6-8-14(9-7-13)19(22)21-16(18-5-3-11-24-18)12-15(20-21)17-4-2-10-23-17/h2-11,16H,12H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone?
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 320.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 7164021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).