N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H10F4N4O3S — CID 86897229

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H10F4N4O3S/c1-8-12(13-20-5-2-6-23(13)21-8)14(24)22-27(25,26)11-4-3-9(16)7-10(11)15(17,18)19/h2-7H,1H3,(H,22,24)
InChIKeyNOIGDZSFKYOAJE-UHFFFAOYSA-N
MW402.33 g/mol
LogP2.31
Rot. Bonds3

About N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86897229) has the molecular formula C15H10F4N4O3S and a molecular weight of 402.33 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86897229
Molecular FormulaC15H10F4N4O3S
Molecular Weight402.33 g/mol
Exact Mass402.04
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C15H10F4N4O3S/c1-8-12(13-20-5-2-6-23(13)21-8)14(24)22-27(25,26)11-4-3-9(16)7-10(11)15(17,18)19/h2-7H,1H3,(H,22,24)
InChIKeyNOIGDZSFKYOAJE-UHFFFAOYSA-N
XLogP2.31
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86897229) is N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NOIGDZSFKYOAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O3S/c1-8-12(13-20-5-2-6-23(13)21-8)14(24)22-27(25,26)11-4-3-9(16)7-10(11)15(17,18)19/h2-7H,1H3,(H,22,24).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86897229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).