3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

C19H14F2N4O2S — CID 86948075

IUPAC3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2coc(-c3cccs3)n2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H14F2N4O2S/c1-25-9-14(17(24-25)13-5-4-11(20)7-15(13)21)18(26)22-8-12-10-27-19(23-12)16-3-2-6-28-16/h2-7,9-10H,8H2,1H3,(H,22,26)
InChIKeyQEVBGTIAVMLTSN-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.01
Rot. Bonds5

About 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide

3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 86948075) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID86948075
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2coc(-c3cccs3)n2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H14F2N4O2S/c1-25-9-14(17(24-25)13-5-4-11(20)7-15(13)21)18(26)22-8-12-10-27-19(23-12)16-3-2-6-28-16/h2-7,9-10H,8H2,1H3,(H,22,26)
InChIKeyQEVBGTIAVMLTSN-UHFFFAOYSA-N
XLogP4.01
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide (CID 86948075) is 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2coc(-c3cccs3)n2)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is QEVBGTIAVMLTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c1-25-9-14(17(24-25)13-5-4-11(20)7-15(13)21)18(26)22-8-12-10-27-19(23-12)16-3-2-6-28-16/h2-7,9-10H,8H2,1H3,(H,22,26).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86948075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).