[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone

C19H16N2O3S — CID 7186195

IUPAC[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1
InChIInChI=1S/C19H16N2O3S/c1-23-14-6-2-5-13(11-14)19(22)21-16(17-7-3-9-24-17)12-15(20-21)18-8-4-10-25-18/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyPUSBZMUQWIMHOB-MRXNPFEDSA-N
MW352.42 g/mol
LogP4.34
Rot. Bonds4

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

[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 7186195) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone
PubChem CID7186195
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1
InChIInChI=1S/C19H16N2O3S/c1-23-14-6-2-5-13(11-14)19(22)21-16(17-7-3-9-24-17)12-15(20-21)18-8-4-10-25-18/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyPUSBZMUQWIMHOB-MRXNPFEDSA-N
XLogP4.34
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41209428
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 16523440
2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 16660422
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 11841098
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 40898138
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]ethanone
CID 55354658
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1234328
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 55315409
[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 46791506
[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1293286
3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 40803862

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone (CID 7186195) is [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c1.
What is the InChIKey of [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is PUSBZMUQWIMHOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-23-14-6-2-5-13(11-14)19(22)21-16(17-7-3-9-24-17)12-15(20-21)18-8-4-10-25-18/h2-11,16H,12H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone?
[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 352.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 7186195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).