1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

C24H20N4O2 — CID 41132099

IUPAC1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1
InChIInChI=1S/C24H20N4O2/c1-17(29)28-22(23-13-8-14-30-23)15-21(25-28)20-16-27(19-11-6-3-7-12-19)26-24(20)18-9-4-2-5-10-18/h2-14,16,22H,15H2,1H3/t22-/m0/s1
InChIKeyIZIJTBCHZASRHM-QFIPXVFZSA-N
MW396.45 g/mol
LogP4.83
Rot. Bonds4

About 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 41132099) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID41132099
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1
InChIInChI=1S/C24H20N4O2/c1-17(29)28-22(23-13-8-14-30-23)15-21(25-28)20-16-27(19-11-6-3-7-12-19)26-24(20)18-9-4-2-5-10-18/h2-14,16,22H,15H2,1H3/t22-/m0/s1
InChIKeyIZIJTBCHZASRHM-QFIPXVFZSA-N
XLogP4.83
TPSA63.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(1-[3-(furan-2-yl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone);manganese
CID 135548281
1-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 3653282
1-[(3S)-3-(furan-2-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135816859
N-[2-[(3R)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 40819623
1-[(3R)-3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 99802511
1-[(3S)-5-(2-hydroxyphenyl)-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 136759932
3-[(3S)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 135887552
3-[2-acetyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 170835613
1-[(3S)-3-(3-methyl-1-phenylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 95277351
1-[5-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 71600723
1-[(3S)-5-(4-methylphenyl)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 95277385
(Z)-4-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
CID 98162708

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 41132099) is 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1.
What is the InChIKey of 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is IZIJTBCHZASRHM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-17(29)28-22(23-13-8-14-30-23)15-21(25-28)20-16-27(19-11-6-3-7-12-19)26-24(20)18-9-4-2-5-10-18/h2-14,16,22H,15H2,1H3/t22-/m0/s1.
What are the key properties of 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 396.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-(1,3-diphenylpyrazol-4-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 41132099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).