N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C17H14F3N3O2S — CID 18925398

IUPACN-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccsc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-23-9-13(14(22-23)17(18,19)20)15(24)21-16-12(7-8-26-16)10-3-5-11(25-2)6-4-10/h3-9H,1-2H3,(H,21,24)
InChIKeyVDXJAHYBFAOMCE-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.43
Rot. Bonds4

About N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 18925398) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID18925398
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccsc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-23-9-13(14(22-23)17(18,19)20)15(24)21-16-12(7-8-26-16)10-3-5-11(25-2)6-4-10/h3-9H,1-2H3,(H,21,24)
InChIKeyVDXJAHYBFAOMCE-UHFFFAOYSA-N
XLogP4.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 18925398) is N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-c2ccsc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VDXJAHYBFAOMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-23-9-13(14(22-23)17(18,19)20)15(24)21-16-12(7-8-26-16)10-3-5-11(25-2)6-4-10/h3-9H,1-2H3,(H,21,24).
What are the key properties of N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)thiophen-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18925398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).