N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H15F3N4O2 — CID 3148167

IUPACN-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H15F3N4O2/c1-3-9(2)20-15(24)11-8-14-21-10(12-5-4-6-25-12)7-13(16(17,18)19)23(14)22-11/h4-9H,3H2,1-2H3,(H,20,24)
InChIKeyRLACEXBLJKDZJA-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.54
Rot. Bonds4

About N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3148167) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3148167
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H15F3N4O2/c1-3-9(2)20-15(24)11-8-14-21-10(12-5-4-6-25-12)7-13(16(17,18)19)23(14)22-11/h4-9H,3H2,1-2H3,(H,20,24)
InChIKeyRLACEXBLJKDZJA-UHFFFAOYSA-N
XLogP3.54
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98174779
N-[(2S)-butan-2-yl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111285
N-[(2S)-butan-2-yl]-7-ethyl-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 95058555
5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165005
1-(4-aminophenyl)ethanone;5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 162621750
2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R,6S)-2,4,6-trimethylpiperidin-1-yl]methanone
CID 1164970
[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1164963
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1205274
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(furan-2-yl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165056
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3148167) is N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(C)NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RLACEXBLJKDZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-3-9(2)20-15(24)11-8-14-21-10(12-5-4-6-25-12)7-13(16(17,18)19)23(14)22-11/h4-9H,3H2,1-2H3,(H,20,24).
What are the key properties of N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3148167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).