N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide

C15H11F2N3OS — CID 42880596

IUPACN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3OS/c1-9-7-14(18-15(21)13-3-2-6-22-13)19-20(9)12-5-4-10(16)8-11(12)17/h2-8H,1H3,(H,18,19,21)
InChIKeyNADBHRCSDJAWTQ-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.77
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide

N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 42880596) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
PubChem CID42880596
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)nn1-c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3OS/c1-9-7-14(18-15(21)13-3-2-6-22-13)19-20(9)12-5-4-10(16)8-11(12)17/h2-8H,1H3,(H,18,19,21)
InChIKeyNADBHRCSDJAWTQ-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(4-methylpiperazin-1-yl)benzamide
CID 166210339
3-[[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122093689
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
CID 135316097
1-(2,4-difluorophenyl)-5-methyl-N-(5-pyridin-2-yl-2-pyridinyl)pyrazole-3-carboxamide
CID 75470170
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82421548
N-[6-(4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047251

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide (CID 42880596) is N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)nn1-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is NADBHRCSDJAWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c1-9-7-14(18-15(21)13-3-2-6-22-13)19-20(9)12-5-4-10(16)8-11(12)17/h2-8H,1H3,(H,18,19,21).
What are the key properties of N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide?
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42880596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).