7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C14H16F2N6O2 — CID 172615241

IUPAC7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCN(C)c1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C14H16F2N6O2/c1-21(2)12-9(10(17)23)11-18-4-3-8(22(11)20-12)13(24)19-7-5-14(15,16)6-7/h3-4,7H,5-6H2,1-2H3,(H2,17,23)(H,19,24)
InChIKeyPFPWESARYCMZKP-UHFFFAOYSA-N
MW338.32 g/mol
LogP0.42
Rot. Bonds4

About 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615241) has the molecular formula C14H16F2N6O2 and a molecular weight of 338.32 g/mol. Its IUPAC name is 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615241
Molecular FormulaC14H16F2N6O2
Molecular Weight338.32 g/mol
Exact Mass338.13
IUPAC Name7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCN(C)c1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C14H16F2N6O2/c1-21(2)12-9(10(17)23)11-18-4-3-8(22(11)20-12)13(24)19-7-5-14(15,16)6-7/h3-4,7H,5-6H2,1-2H3,(H2,17,23)(H,19,24)
InChIKeyPFPWESARYCMZKP-UHFFFAOYSA-N
XLogP0.42
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615241) is 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CN(C)c1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is PFPWESARYCMZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6O2/c1-21(2)12-9(10(17)23)11-18-4-3-8(22(11)20-12)13(24)19-7-5-14(15,16)6-7/h3-4,7H,5-6H2,1-2H3,(H2,17,23)(H,19,24).
What are the key properties of 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 338.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,3-difluorocyclobutyl)-2-(dimethylamino)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).