5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C18H16F3N3O2S — CID 55741039

IUPAC5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)11-26-10-13-5-3-12(4-6-13)9-22-17(25)15-8-14(23-24-15)16-2-1-7-27-16/h1-8H,9-11H2,(H,22,25)(H,23,24)
InChIKeyDGWGGTQJNXPYNV-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.15
Rot. Bonds7

About 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 55741039) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID55741039
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC Name5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H16F3N3O2S/c19-18(20,21)11-26-10-13-5-3-12(4-6-13)9-22-17(25)15-8-14(23-24-15)16-2-1-7-27-16/h1-8H,9-11H2,(H,22,25)(H,23,24)
InChIKeyDGWGGTQJNXPYNV-UHFFFAOYSA-N
XLogP4.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46942696
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49795478
3-(5-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795782
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156565670
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
[3-(2-Fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 28809867
N-(2-(4-fluorophenoxy)ethyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45504220
3-(4-fluoro-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49790078
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49791400
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792992

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 55741039) is 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DGWGGTQJNXPYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c19-18(20,21)11-26-10-13-5-3-12(4-6-13)9-22-17(25)15-8-14(23-24-15)16-2-1-7-27-16/h1-8H,9-11H2,(H,22,25)(H,23,24).
What are the key properties of 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55741039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).