N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H13F3N6O2 — CID 1165089

IUPACN-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H13F3N6O2/c1-9-12(8-25(2)23-9)22-16(27)11-7-15-21-10(13-4-3-5-28-13)6-14(17(18,19)20)26(15)24-11/h3-8H,1-2H3,(H,22,27)
InChIKeyWXNBTTIIVKSYFK-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.30
Rot. Bonds3

About N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1165089) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1165089
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C17H13F3N6O2/c1-9-12(8-25(2)23-9)22-16(27)11-7-15-21-10(13-4-3-5-28-13)6-14(17(18,19)20)26(15)24-11/h3-8H,1-2H3,(H,22,27)
InChIKeyWXNBTTIIVKSYFK-UHFFFAOYSA-N
XLogP3.30
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1165089) is N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C)cc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WXNBTTIIVKSYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c1-9-12(8-25(2)23-9)22-16(27)11-7-15-21-10(13-4-3-5-28-13)6-14(17(18,19)20)26(15)24-11/h3-8H,1-2H3,(H,22,27).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1165089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).