N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide

C25H26FN5O3S — CID 30635588

IUPACN-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C25H26FN5O3S/c26-18-4-1-5-19(14-18)27-24(32)16-29-8-10-30(11-9-29)17-25(33)31-21(22-6-2-12-34-22)15-20(28-31)23-7-3-13-35-23/h1-7,12-14,21H,8-11,15-17H2,(H,27,32)/t21-/m1/s1
InChIKeyBTZAUXAUGGQWOZ-OAQYLSRUSA-N
MW495.58 g/mol
LogP3.41
Rot. Bonds7

About N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30635588) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30635588
Molecular FormulaC25H26FN5O3S
Molecular Weight495.58 g/mol
Exact Mass495.17
IUPAC NameN-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C25H26FN5O3S/c26-18-4-1-5-19(14-18)27-24(32)16-29-8-10-30(11-9-29)17-25(33)31-21(22-6-2-12-34-22)15-20(28-31)23-7-3-13-35-23/h1-7,12-14,21H,8-11,15-17H2,(H,27,32)/t21-/m1/s1
InChIKeyBTZAUXAUGGQWOZ-OAQYLSRUSA-N
XLogP3.41
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 30253615
2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 46677581
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 46444660
2-(2-fluorophenyl)sulfanyl-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16520332
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 42916769
2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826679
5-(2,5-difluorophenyl)-3-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24598024
2-(4-ethylpiperazin-1-yl)-1-[(3S)-5-(4-fluorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93227039
4-[2-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 42028601
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
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 167748812

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30635588) is N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is BTZAUXAUGGQWOZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c26-18-4-1-5-19(14-18)27-24(32)16-29-8-10-30(11-9-29)17-25(33)31-21(22-6-2-12-34-22)15-20(28-31)23-7-3-13-35-23/h1-7,12-14,21H,8-11,15-17H2,(H,27,32)/t21-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 495.58 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30635588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).