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

C13H13F2N5O2 — CID 172615614

IUPAC7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C13H13F2N5O2/c1-6-9(10(16)21)11-17-3-2-8(20(11)19-6)12(22)18-7-4-13(14,15)5-7/h2-3,7H,4-5H2,1H3,(H2,16,21)(H,18,22)
InChIKeyXSXIIAKOZWTDOS-UHFFFAOYSA-N
MW309.28 g/mol
LogP0.66
Rot. Bonds3

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

7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615614) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615614
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O
InChIInChI=1S/C13H13F2N5O2/c1-6-9(10(16)21)11-17-3-2-8(20(11)19-6)12(22)18-7-4-13(14,15)5-7/h2-3,7H,4-5H2,1H3,(H2,16,21)(H,18,22)
InChIKeyXSXIIAKOZWTDOS-UHFFFAOYSA-N
XLogP0.66
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615593
7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615494
3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615482
7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615187
7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615456
7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615362
2-cyclopropyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615470
7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615556
2-methyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042087
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
CID 126791351
6-bromo-3-cyano-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615541

Frequently Asked Questions

What is the IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615614) is 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is Cc1nn2c(C(=O)NC3CC(F)(F)C3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is XSXIIAKOZWTDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c1-6-9(10(16)21)11-17-3-2-8(20(11)19-6)12(22)18-7-4-13(14,15)5-7/h2-3,7H,4-5H2,1H3,(H2,16,21)(H,18,22).
What are the key properties of 7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 309.28 g/mol, XLogP of 0.66, 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)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).