[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C19H18F2N4O4S2 — CID 19515178

IUPAC[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(OC(F)F)cc2)n[nH]1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H18F2N4O4S2/c20-19(21)29-14-5-3-13(4-6-14)15-12-16(23-22-15)18(26)24-7-9-25(10-8-24)31(27,28)17-2-1-11-30-17/h1-6,11-12,19H,7-10H2,(H,22,23)
InChIKeyXLMNIFFVCDLPLC-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.89
Rot. Bonds6

About [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 19515178) has the molecular formula C19H18F2N4O4S2 and a molecular weight of 468.51 g/mol. Its IUPAC name is [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID19515178
Molecular FormulaC19H18F2N4O4S2
Molecular Weight468.51 g/mol
Exact Mass468.07
IUPAC Name[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(OC(F)F)cc2)n[nH]1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H18F2N4O4S2/c20-19(21)29-14-5-3-13(4-6-14)15-12-16(23-22-15)18(26)24-7-9-25(10-8-24)31(27,28)17-2-1-11-30-17/h1-6,11-12,19H,7-10H2,(H,22,23)
InChIKeyXLMNIFFVCDLPLC-UHFFFAOYSA-N
XLogP2.89
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 4818683
[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19515173
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 20910818
2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 7750224
(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496437
5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 20910866
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515203
(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 20953289
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144

Frequently Asked Questions

What is the IUPAC name of [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 19515178) is [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccc(OC(F)F)cc2)n[nH]1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is XLMNIFFVCDLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O4S2/c20-19(21)29-14-5-3-13(4-6-14)15-12-16(23-22-15)18(26)24-7-9-25(10-8-24)31(27,28)17-2-1-11-30-17/h1-6,11-12,19H,7-10H2,(H,22,23).
What are the key properties of [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
[3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 468.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(difluoromethoxy)phenyl]-1H-pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 19515178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).