3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

C19H12F3N5OS — CID 177207487

IUPAC3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc(C(F)F)nn1-c1ccccc1F
InChIInChI=1S/C19H12F3N5OS/c20-11-5-1-2-7-15(11)27-16(9-13(26-27)17(21)22)18(28)25-19-24-14(10-29-19)12-6-3-4-8-23-12/h1-10,17H,(H,24,25,28)
InChIKeyYATCFRNSSJOBOM-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.72
Rot. Bonds5

About 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 177207487) has the molecular formula C19H12F3N5OS and a molecular weight of 415.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID177207487
Molecular FormulaC19H12F3N5OS
Molecular Weight415.40 g/mol
Exact Mass415.07
IUPAC Name3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc(C(F)F)nn1-c1ccccc1F
InChIInChI=1S/C19H12F3N5OS/c20-11-5-1-2-7-15(11)27-16(9-13(26-27)17(21)22)18(28)25-19-24-14(10-29-19)12-6-3-4-8-23-12/h1-10,17H,(H,24,25,28)
InChIKeyYATCFRNSSJOBOM-UHFFFAOYSA-N
XLogP4.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 177207487) is 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cc(C(F)F)nn1-c1ccccc1F.
What is the InChIKey of 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is YATCFRNSSJOBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5OS/c20-11-5-1-2-7-15(11)27-16(9-13(26-27)17(21)22)18(28)25-19-24-14(10-29-19)12-6-3-4-8-23-12/h1-10,17H,(H,24,25,28).
What are the key properties of 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 177207487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).