(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

C20H19F3N4O2S — CID 55740530

IUPAC(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)29-15-5-3-14(4-6-15)13-26-7-9-27(10-8-26)19(28)17-12-16(24-25-17)18-2-1-11-30-18/h1-6,11-12H,7-10,13H2,(H,24,25)
InChIKeyPPYXGDOLYQWGQX-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.99
Rot. Bonds5

About (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 55740530) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID55740530
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC Name(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)29-15-5-3-14(4-6-15)13-26-7-9-27(10-8-26)19(28)17-12-16(24-25-17)18-2-1-11-30-18/h1-6,11-12H,7-10,13H2,(H,24,25)
InChIKeyPPYXGDOLYQWGQX-UHFFFAOYSA-N
XLogP3.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-Bromo-5-{4-[4-(trifluoromethoxy)phenyl]piperazine-1-carbonyl}-8,10-dithia-3,4-diazatricyclo[7.3.0.0(2),⁶]dodeca-1(9),2,5,11-tetraene (7e)
CID 78427625
1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(2-thienylcarbonyl)piperazine
CID 24790128
3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46942696
N-[3-cyano-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide
CID 118735955
(2-fluorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910912
3-(5-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795782
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 137634310
3-(4-methoxyphenyl)-N-[2-[2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]ethyldisulfanyl]ethyl]-1H-pyrazole-5-carboxamide
CID 155513746
N-[3-cyano-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-methoxybenzamide
CID 118735956
2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
CID 156574627
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 156574629
N-(4-methoxybenzyl)-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
CID 16016730

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (CID 55740530) is (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is PPYXGDOLYQWGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c21-20(22,23)29-15-5-3-14(4-6-15)13-26-7-9-27(10-8-26)19(28)17-12-16(24-25-17)18-2-1-11-30-18/h1-6,11-12H,7-10,13H2,(H,24,25).
What are the key properties of (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 436.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55740530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).