1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide

C11H12F2N4OS — CID 17025310

IUPAC1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C)n(C(F)F)n2)sc1C
InChIInChI=1S/C11H12F2N4OS/c1-5-4-8(16-17(5)10(12)13)9(18)15-11-14-6(2)7(3)19-11/h4,10H,1-3H3,(H,14,15,18)
InChIKeyVIRNVBBSGYJISP-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.91
Rot. Bonds3

About 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide

1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 17025310) has the molecular formula C11H12F2N4OS and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide
PubChem CID17025310
Molecular FormulaC11H12F2N4OS
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C)n(C(F)F)n2)sc1C
InChIInChI=1S/C11H12F2N4OS/c1-5-4-8(16-17(5)10(12)13)9(18)15-11-14-6(2)7(3)19-11/h4,10H,1-3H3,(H,14,15,18)
InChIKeyVIRNVBBSGYJISP-UHFFFAOYSA-N
XLogP2.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide (CID 17025310) is 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide is Cc1nc(NC(=O)c2cc(C)n(C(F)F)n2)sc1C.
What is the InChIKey of 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is VIRNVBBSGYJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4OS/c1-5-4-8(16-17(5)10(12)13)9(18)15-11-14-6(2)7(3)19-11/h4,10H,1-3H3,(H,14,15,18).
What are the key properties of 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide?
1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17025310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).