5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide

C10H10F2N4O3S2 — CID 154869009

IUPAC5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)c2cc(C(F)F)n(C)n2)s1
InChIInChI=1S/C10H10F2N4O3S2/c1-5-13-4-8(20-5)21(18,19)15-10(17)6-3-7(9(11)12)16(2)14-6/h3-4,9H,1-2H3,(H,15,17)
InChIKeyQPAJXSDLSDVZOY-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.24
Rot. Bonds4

About 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide

5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide (PubChem CID 154869009) has the molecular formula C10H10F2N4O3S2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide
PubChem CID154869009
Molecular FormulaC10H10F2N4O3S2
Molecular Weight336.35 g/mol
Exact Mass336.02
IUPAC Name5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)c2cc(C(F)F)n(C)n2)s1
InChIInChI=1S/C10H10F2N4O3S2/c1-5-13-4-8(20-5)21(18,19)15-10(17)6-3-7(9(11)12)16(2)14-6/h3-4,9H,1-2H3,(H,15,17)
InChIKeyQPAJXSDLSDVZOY-UHFFFAOYSA-N
XLogP1.24
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide (CID 154869009) is 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide is Cc1ncc(S(=O)(=O)NC(=O)c2cc(C(F)F)n(C)n2)s1.
What is the InChIKey of 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide?
The InChIKey is QPAJXSDLSDVZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O3S2/c1-5-13-4-8(20-5)21(18,19)15-10(17)6-3-7(9(11)12)16(2)14-6/h3-4,9H,1-2H3,(H,15,17).
What are the key properties of 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide?
5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-methyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 154869009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).