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

C15H17F2N5O3 — CID 172615219

IUPAC7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCC(C)(O)c1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C15H17F2N5O3/c1-14(2,25)10-9(11(18)23)12-19-4-3-8(22(12)21-10)13(24)20-7-5-15(16,17)6-7/h3-4,7,25H,5-6H2,1-2H3,(H2,18,23)(H,20,24)
InChIKeyVVQKJIBCUOEWNW-UHFFFAOYSA-N
MW353.33 g/mol
LogP0.58
Rot. Bonds4

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

7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615219) has the molecular formula C15H17F2N5O3 and a molecular weight of 353.33 g/mol. Its IUPAC name is 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615219
Molecular FormulaC15H17F2N5O3
Molecular Weight353.33 g/mol
Exact Mass353.13
IUPAC Name7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCC(C)(O)c1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C15H17F2N5O3/c1-14(2,25)10-9(11(18)23)12-19-4-3-8(22(12)21-10)13(24)20-7-5-15(16,17)6-7/h3-4,7,25H,5-6H2,1-2H3,(H2,18,23)(H,20,24)
InChIKeyVVQKJIBCUOEWNW-UHFFFAOYSA-N
XLogP0.58
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615219) is 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CC(C)(O)c1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is VVQKJIBCUOEWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O3/c1-14(2,25)10-9(11(18)23)12-19-4-3-8(22(12)21-10)13(24)20-7-5-15(16,17)6-7/h3-4,7,25H,5-6H2,1-2H3,(H2,18,23)(H,20,24).
What are the key properties of 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 353.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3,3-difluorocyclobutyl)-2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).