N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C11H12F2N4O — CID 90374502

IUPACN-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCC(F)F)c2n1
InChIInChI=1S/C11H12F2N4O/c1-6-3-7(2)17-10(16-6)8(4-15-17)11(18)14-5-9(12)13/h3-4,9H,5H2,1-2H3,(H,14,18)
InChIKeyBAQRWBMMNKFXMM-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.34
Rot. Bonds3

About N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90374502) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90374502
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC NameN-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCC(F)F)c2n1
InChIInChI=1S/C11H12F2N4O/c1-6-3-7(2)17-10(16-6)8(4-15-17)11(18)14-5-9(12)13/h3-4,9H,5H2,1-2H3,(H,14,18)
InChIKeyBAQRWBMMNKFXMM-UHFFFAOYSA-N
XLogP1.34
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90374502) is N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCC(F)F)c2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BAQRWBMMNKFXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-6-3-7(2)17-10(16-6)8(4-15-17)11(18)14-5-9(12)13/h3-4,9H,5H2,1-2H3,(H,14,18).
What are the key properties of N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90374502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).