[2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone

C20H18F2N4O3S — CID 55824556

IUPAC[2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C20H18F2N4O3S/c21-20(22)29-16-5-2-1-4-13(16)18(27)25-7-9-26(10-8-25)19(28)15-12-14(23-24-15)17-6-3-11-30-17/h1-6,11-12,20H,7-10H2,(H,23,24)
InChIKeyJWTVMVQHKOHWFK-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.34
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 55824556) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID55824556
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C20H18F2N4O3S/c21-20(22)29-16-5-2-1-4-13(16)18(27)25-7-9-26(10-8-25)19(28)15-12-14(23-24-15)17-6-3-11-30-17/h1-6,11-12,20H,7-10H2,(H,23,24)
InChIKeyJWTVMVQHKOHWFK-UHFFFAOYSA-N
XLogP3.34
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
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pyridin-3-yl-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20911024
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CID 112845110
[4-(1-aminoethyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
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CID 78880496
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
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[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55790065
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19514981
[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55762009
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 55824556) is [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JWTVMVQHKOHWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c21-20(22)29-16-5-2-1-4-13(16)18(27)25-7-9-26(10-8-25)19(28)15-12-14(23-24-15)17-6-3-11-30-17/h1-6,11-12,20H,7-10H2,(H,23,24).
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 432.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55824556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).