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

C19H15F2N3O3 — CID 35811357

IUPAC1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone
SMILESO=C(CNc1cc(F)cc(F)c1)N1N=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C19H15F2N3O3/c20-12-7-13(21)9-14(8-12)22-11-19(25)24-16(18-4-2-6-27-18)10-15(23-24)17-3-1-5-26-17/h1-9,16,22H,10-11H2/t16-/m0/s1
InChIKeyCVNJTNSNIDPAMC-INIZCTEOSA-N
MW371.34 g/mol
LogP3.94
Rot. Bonds5

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

1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone (PubChem CID 35811357) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone.

Molecular Properties

Compound Name1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone
PubChem CID35811357
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone
SMILESO=C(CNc1cc(F)cc(F)c1)N1N=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C19H15F2N3O3/c20-12-7-13(21)9-14(8-12)22-11-19(25)24-16(18-4-2-6-27-18)10-15(23-24)17-3-1-5-26-17/h1-9,16,22H,10-11H2/t16-/m0/s1
InChIKeyCVNJTNSNIDPAMC-INIZCTEOSA-N
XLogP3.94
TPSA70.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
CID 78792990
N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide
CID 55919017
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 51252650
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone
CID 60537045
3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide
CID 60537168
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
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-(2-methyl-3-nitroanilino)ethanone
CID 51183167
N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide
CID 55897315
[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3,4-difluorobenzoate
CID 55375837
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone
CID 60536920

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone?
The IUPAC name of 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone (CID 35811357) is 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone.
What is the SMILES notation for 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone?
The canonical SMILES for 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone is O=C(CNc1cc(F)cc(F)c1)N1N=C(c2ccco2)C[C@H]1c1ccco1.
What is the InChIKey of 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone?
The InChIKey is CVNJTNSNIDPAMC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c20-12-7-13(21)9-14(8-12)22-11-19(25)24-16(18-4-2-6-27-18)10-15(23-24)17-3-1-5-26-17/h1-9,16,22H,10-11H2/t16-/m0/s1.
What are the key properties of 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone?
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone has a molecular weight of 371.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone is sourced from PubChem (CID 35811357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).