1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C8H6F2N4OS — CID 4768716

IUPAC1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccn(C(F)F)n1
InChIInChI=1S/C8H6F2N4OS/c9-7(10)14-3-1-5(13-14)6(15)12-8-11-2-4-16-8/h1-4,7H,(H,11,12,15)
InChIKeyXOBYBODWALBHLZ-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.99
Rot. Bonds3

About 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 4768716) has the molecular formula C8H6F2N4OS and a molecular weight of 244.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID4768716
Molecular FormulaC8H6F2N4OS
Molecular Weight244.23 g/mol
Exact Mass244.02
IUPAC Name1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccn(C(F)F)n1
InChIInChI=1S/C8H6F2N4OS/c9-7(10)14-3-1-5(13-14)6(15)12-8-11-2-4-16-8/h1-4,7H,(H,11,12,15)
InChIKeyXOBYBODWALBHLZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 4768716) is 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nccs1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is XOBYBODWALBHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4OS/c9-7(10)14-3-1-5(13-14)6(15)12-8-11-2-4-16-8/h1-4,7H,(H,11,12,15).
What are the key properties of 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 244.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 4768716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).