1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide

C10H11F2N5O — CID 146201199

IUPAC1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCCC(F)(F)n1ncc2cnc(C(=O)NC)nc21
InChIInChI=1S/C10H11F2N5O/c1-3-10(11,12)17-8-6(5-15-17)4-14-7(16-8)9(18)13-2/h4-5H,3H2,1-2H3,(H,13,18)
InChIKeyDHGFMPRFXMDZDI-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.15
Rot. Bonds3

About 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide

1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 146201199) has the molecular formula C10H11F2N5O and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID146201199
Molecular FormulaC10H11F2N5O
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide
SMILESCCC(F)(F)n1ncc2cnc(C(=O)NC)nc21
InChIInChI=1S/C10H11F2N5O/c1-3-10(11,12)17-8-6(5-15-17)4-14-7(16-8)9(18)13-2/h4-5H,3H2,1-2H3,(H,13,18)
InChIKeyDHGFMPRFXMDZDI-UHFFFAOYSA-N
XLogP1.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-propyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 650648
N-(1-(2-(Diisopropylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide hydrochloride
CID 71223119
N-(1-(2-(4-methyl-1,4-diazepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71225888
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
4-[5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]piperazin-2-one
CID 165415065
6-bromo-N-butyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2058779
1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221087
2,2-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
CID 71225600
N-(1-(3-(4-methylpiperazin-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71226049
2-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-1-pyrrolidin-1-ylethanone
CID 18292167
6-tert-butyl-1-methyl-N-[2-oxo-2-(1-piperazinyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56918005
US20250340565, Example 13
CID 170606911

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide (CID 146201199) is 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide is CCC(F)(F)n1ncc2cnc(C(=O)NC)nc21.
What is the InChIKey of 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is DHGFMPRFXMDZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5O/c1-3-10(11,12)17-8-6(5-15-17)4-14-7(16-8)9(18)13-2/h4-5H,3H2,1-2H3,(H,13,18).
What are the key properties of 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide?
1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 255.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropyl)-N-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 146201199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).