1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide

C19H17F2N3O2S — CID 42943811

IUPAC1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H17F2N3O2S/c20-12-5-6-16(14(21)9-12)24-17(18-4-2-8-27-18)10-15(23-24)19(25)22-11-13-3-1-7-26-13/h2,4-6,8-10,13H,1,3,7,11H2,(H,22,25)
InChIKeyIVTIBBUGBZGLKI-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.79
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide

1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 42943811) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID42943811
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1
InChIInChI=1S/C19H17F2N3O2S/c20-12-5-6-16(14(21)9-12)24-17(18-4-2-8-27-18)10-15(23-24)19(25)22-11-13-3-1-7-26-13/h2,4-6,8-10,13H,1,3,7,11H2,(H,22,25)
InChIKeyIVTIBBUGBZGLKI-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-(oxolan-2-ylmethyl)-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110331976
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
1-benzyl-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24624909
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-(2,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252478
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146046210
ethyl 2-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-5-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 92823862

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide (CID 42943811) is 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide is O=C(NCC1CCCO1)c1cc(-c2cccs2)n(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is IVTIBBUGBZGLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c20-12-5-6-16(14(21)9-12)24-17(18-4-2-8-27-18)10-15(23-24)19(25)22-11-13-3-1-7-26-13/h2,4-6,8-10,13H,1,3,7,11H2,(H,22,25).
What are the key properties of 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(oxolan-2-ylmethyl)-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 42943811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).