N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide

C21H14F3N3OS — CID 66778916

IUPACN-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C21H14F3N3OS/c1-27-17(11-16(26-27)12-5-2-3-6-13(12)22)18-9-10-19(29-18)21(28)25-20-14(23)7-4-8-15(20)24/h2-11H,1H3,(H,25,28)
InChIKeyHHDZFQUYOHXTKF-UHFFFAOYSA-N
MW413.42 g/mol
LogP5.49
Rot. Bonds4

About N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide

N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 66778916) has the molecular formula C21H14F3N3OS and a molecular weight of 413.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
PubChem CID66778916
Molecular FormulaC21H14F3N3OS
Molecular Weight413.42 g/mol
Exact Mass413.08
IUPAC NameN-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C21H14F3N3OS/c1-27-17(11-16(26-27)12-5-2-3-6-13(12)22)18-9-10-19(29-18)21(28)25-20-14(23)7-4-8-15(20)24/h2-11H,1H3,(H,25,28)
InChIKeyHHDZFQUYOHXTKF-UHFFFAOYSA-N
XLogP5.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxamide, 5-(3-trifluoromethyl-1-methyl-5-pyrazolyl)-N-methyl-
CID 621265
Thiophene-2-carboxamide, 5-(5-trifluoromethyl-1-methyl-3-pyrazolyl)-N,N-dimethyl-
CID 621268
N-benzyl-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 680356
CB2 Inhibitor, 2
CID 16376054
N,1-dimethyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1484439
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 66857424
N-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 2808477
N2,N2-dimethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 2819922

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide (CID 66778916) is N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide is Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is HHDZFQUYOHXTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3OS/c1-27-17(11-16(26-27)12-5-2-3-6-13(12)22)18-9-10-19(29-18)21(28)25-20-14(23)7-4-8-15(20)24/h2-11H,1H3,(H,25,28).
What are the key properties of N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide?
N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 66778916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).