1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one

C23H20N4OS2 — CID 99801614

IUPAC1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1
InChIInChI=1S/C23H20N4OS2/c1-2-22(28)27-21(12-20(24-27)16-8-10-29-14-16)19-13-26(18-6-4-3-5-7-18)25-23(19)17-9-11-30-15-17/h3-11,13-15,21H,2,12H2,1H3/t21-/m1/s1
InChIKeyGCEBMHRKGIXDFV-OAQYLSRUSA-N
MW432.57 g/mol
LogP5.75
Rot. Bonds5

About 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one

1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 99801614) has the molecular formula C23H20N4OS2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID99801614
Molecular FormulaC23H20N4OS2
Molecular Weight432.57 g/mol
Exact Mass432.11
IUPAC Name1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1
InChIInChI=1S/C23H20N4OS2/c1-2-22(28)27-21(12-20(24-27)16-8-10-29-14-16)19-13-26(18-6-4-3-5-7-18)25-23(19)17-9-11-30-15-17/h3-11,13-15,21H,2,12H2,1H3/t21-/m1/s1
InChIKeyGCEBMHRKGIXDFV-OAQYLSRUSA-N
XLogP5.75
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 97306133
5-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 95637385
1-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]-2-(2-hydroxyethylamino)ethanone
CID 97352532
1-[(3S)-5-(4-methylphenyl)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 95277385
1-[(3S)-3-(3-methyl-1-phenylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 95277351
(3R)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-phenyl-5-thiophen-3-yl-3,4-dihydropyrazole-2-carbothioamide
CID 95277368
1-[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 99801479
1-[3-[1-(4-bromophenyl)-3-(4-nitrophenyl)pyrazol-4-yl]-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 118734057
1-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 3653282
4-[(3S)-5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1123665
(4-bromophenyl)-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 7155110
[(3R)-5-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 57392485

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one (CID 99801614) is 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1.
What is the InChIKey of 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is GCEBMHRKGIXDFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N4OS2/c1-2-22(28)27-21(12-20(24-27)16-8-10-29-14-16)19-13-26(18-6-4-3-5-7-18)25-23(19)17-9-11-30-15-17/h3-11,13-15,21H,2,12H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 432.57 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 99801614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).