N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide

C19H14F2N4O2S — CID 118617460

IUPACN-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide
SMILESCc1sc(-c2ncco2)cc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C
InChIInChI=1S/C19H14F2N4O2S/c1-10-11(8-16(28-10)19-22-6-7-27-19)15-9-14(24-25(15)2)18(26)23-17-12(20)4-3-5-13(17)21/h3-9H,1-2H3,(H,23,26)
InChIKeyUWPFJRFGPKKTLX-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.64
Rot. Bonds4

About N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide

N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide (PubChem CID 118617460) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide
PubChem CID118617460
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC NameN-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide
SMILESCc1sc(-c2ncco2)cc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C
InChIInChI=1S/C19H14F2N4O2S/c1-10-11(8-16(28-10)19-22-6-7-27-19)15-9-14(24-25(15)2)18(26)23-17-12(20)4-3-5-13(17)21/h3-9H,1-2H3,(H,23,26)
InChIKeyUWPFJRFGPKKTLX-UHFFFAOYSA-N
XLogP4.64
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 24875779
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CID 66929232
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CID 68062253
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CID 68062254
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CID 68062258
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CID 68062259
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide (CID 118617460) is N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide is Cc1sc(-c2ncco2)cc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C.
What is the InChIKey of N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide?
The InChIKey is UWPFJRFGPKKTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c1-10-11(8-16(28-10)19-22-6-7-27-19)15-9-14(24-25(15)2)18(26)23-17-12(20)4-3-5-13(17)21/h3-9H,1-2H3,(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide?
N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-methyl-5-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 118617460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).