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

C15H20F2N4OS — CID 170553996

IUPAC3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(C(NC(=O)c2cn(C)nc2C(F)F)C(C)C)sc1C
InChIInChI=1S/C15H20F2N4OS/c1-7(2)11(15-18-8(3)9(4)23-15)19-14(22)10-6-21(5)20-12(10)13(16)17/h6-7,11,13H,1-5H3,(H,19,22)
InChIKeyLLEQEMCWXHUQJE-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.56
Rot. Bonds5

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

3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide (PubChem CID 170553996) has the molecular formula C15H20F2N4OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide
PubChem CID170553996
Molecular FormulaC15H20F2N4OS
Molecular Weight342.42 g/mol
Exact Mass342.13
IUPAC Name3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(C(NC(=O)c2cn(C)nc2C(F)F)C(C)C)sc1C
InChIInChI=1S/C15H20F2N4OS/c1-7(2)11(15-18-8(3)9(4)23-15)19-14(22)10-6-21(5)20-12(10)13(16)17/h6-7,11,13H,1-5H3,(H,19,22)
InChIKeyLLEQEMCWXHUQJE-UHFFFAOYSA-N
XLogP3.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide (CID 170553996) is 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide is Cc1nc(C(NC(=O)c2cn(C)nc2C(F)F)C(C)C)sc1C.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is LLEQEMCWXHUQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4OS/c1-7(2)11(15-18-8(3)9(4)23-15)19-14(22)10-6-21(5)20-12(10)13(16)17/h6-7,11,13H,1-5H3,(H,19,22).
What are the key properties of 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 170553996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).