N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide

C20H17N3O3S — CID 97100111

IUPACN-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccsc3)C2)cc1
InChIInChI=1S/C20H17N3O3S/c1-13(24)21-16-6-4-14(5-7-16)17-11-18(15-8-10-27-12-15)23(22-17)20(25)19-3-2-9-26-19/h2-10,12,18H,11H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyWCUMHLMFTCWATG-GOSISDBHSA-N
MW379.44 g/mol
LogP4.29
Rot. Bonds4

About N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide

N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (PubChem CID 97100111) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
PubChem CID97100111
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccsc3)C2)cc1
InChIInChI=1S/C20H17N3O3S/c1-13(24)21-16-6-4-14(5-7-16)17-11-18(15-8-10-27-12-15)23(22-17)20(25)19-3-2-9-26-19/h2-10,12,18H,11H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyWCUMHLMFTCWATG-GOSISDBHSA-N
XLogP4.29
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide with MolForge

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Related Compounds

furan-2-yl-[(3R)-3-(furan-2-yl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 100663472
furan-2-yl-[(3R)-3-(2-hydroxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97079923
N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 16590143
N-[4-[2-(furan-2-carbonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 18553560
N-[4-[(3S)-2-acetyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 99801608
furan-2-yl-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)methanone
CID 91653669
furan-2-yl-[(3S)-5-thiophen-3-yl-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 99802094
N-[4-[(3R)-2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 27280825
[(3S)-5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 100750142
N-[4-[(3R)-2-butanoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40840638
N-[4-[(3R)-2-(2-chloroacetyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 30886614
[(3S)-3,5-di(thiophen-3-yl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 97080916

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (CID 97100111) is N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccsc3)C2)cc1.
What is the InChIKey of N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The InChIKey is WCUMHLMFTCWATG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13(24)21-16-6-4-14(5-7-16)17-11-18(15-8-10-27-12-15)23(22-17)20(25)19-3-2-9-26-19/h2-10,12,18H,11H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-2-(furan-2-carbonyl)-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 97100111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).