7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C12H11F2N5O2 — CID 172615252

IUPAC7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3CC(F)(F)C3)ccnc12
InChIInChI=1S/C12H11F2N5O2/c13-12(14)3-6(4-12)18-11(21)8-1-2-16-10-7(9(15)20)5-17-19(8)10/h1-2,5-6H,3-4H2,(H2,15,20)(H,18,21)
InChIKeyUVUIKRRLSNULAX-UHFFFAOYSA-N
MW295.25 g/mol
LogP0.36
Rot. Bonds3

About 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615252) has the molecular formula C12H11F2N5O2 and a molecular weight of 295.25 g/mol. Its IUPAC name is 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615252
Molecular FormulaC12H11F2N5O2
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC Name7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3CC(F)(F)C3)ccnc12
InChIInChI=1S/C12H11F2N5O2/c13-12(14)3-6(4-12)18-11(21)8-1-2-16-10-7(9(15)20)5-17-19(8)10/h1-2,5-6H,3-4H2,(H2,15,20)(H,18,21)
InChIKeyUVUIKRRLSNULAX-UHFFFAOYSA-N
XLogP0.36
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615252) is 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1cnn2c(C(=O)NC3CC(F)(F)C3)ccnc12.
What is the InChIKey of 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is UVUIKRRLSNULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O2/c13-12(14)3-6(4-12)18-11(21)8-1-2-16-10-7(9(15)20)5-17-19(8)10/h1-2,5-6H,3-4H2,(H2,15,20)(H,18,21).
What are the key properties of 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 295.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).