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

C22H18N4O2S — CID 8934405

IUPAC1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H18N4O2S/c1-15(27)26-19(13-18(23-26)20-9-5-11-28-20)17-14-25(16-7-3-2-4-8-16)24-22(17)21-10-6-12-29-21/h2-12,14,19H,13H2,1H3/t19-/m1/s1
InChIKeyONYORJZGRXKDBH-LJQANCHMSA-N
MW402.48 g/mol
LogP4.89
Rot. Bonds4

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

1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 8934405) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID8934405
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H18N4O2S/c1-15(27)26-19(13-18(23-26)20-9-5-11-28-20)17-14-25(16-7-3-2-4-8-16)24-22(17)21-10-6-12-29-21/h2-12,14,19H,13H2,1H3/t19-/m1/s1
InChIKeyONYORJZGRXKDBH-LJQANCHMSA-N
XLogP4.89
TPSA63.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2873894
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CID 5739268
(3-methoxyphenyl)[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814854
1-(5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)ethanone
CID 16276866
1-[(4S)-4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-2-(furan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 166675777
1-[5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazole]-2-yl]propan-1-one
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[3-(2,3-Dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-thiophen-2-ylmethanone
CID 2821373
1-(5-(3-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-2-yl)ethanone
CID 16276917
N-{(1Z)-3-[(furan-2-ylmethyl)amino]-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}benzamide
CID 5733807
N-benzyl-N-{[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]methyl}-2-furamide
CID 1289335
(4-Methoxyphenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
CID 2739870
[4-(4-Methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone
CID 2740628

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 8934405) is 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is ONYORJZGRXKDBH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-15(27)26-19(13-18(23-26)20-9-5-11-28-20)17-14-25(16-7-3-2-4-8-16)24-22(17)21-10-6-12-29-21/h2-12,14,19H,13H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 402.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5-(furan-2-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 8934405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).