N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C14H16F2N4O — CID 166302285

IUPACN-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2(C)CCC(F)(F)C2)cnc2ccnn12
InChIInChI=1S/C14H16F2N4O/c1-9-10(7-17-11-3-6-18-20(9)11)12(21)19-13(2)4-5-14(15,16)8-13/h3,6-7H,4-5,8H2,1-2H3,(H,19,21)
InChIKeyFDYBYKUBUPIUNJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.35
Rot. Bonds2

About N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 166302285) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID166302285
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2(C)CCC(F)(F)C2)cnc2ccnn12
InChIInChI=1S/C14H16F2N4O/c1-9-10(7-17-11-3-6-18-20(9)11)12(21)19-13(2)4-5-14(15,16)8-13/h3,6-7H,4-5,8H2,1-2H3,(H,19,21)
InChIKeyFDYBYKUBUPIUNJ-UHFFFAOYSA-N
XLogP2.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 166302285) is N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2(C)CCC(F)(F)C2)cnc2ccnn12.
What is the InChIKey of N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FDYBYKUBUPIUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-9-10(7-17-11-3-6-18-20(9)11)12(21)19-13(2)4-5-14(15,16)8-13/h3,6-7H,4-5,8H2,1-2H3,(H,19,21).
What are the key properties of N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-1-methylcyclopentyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 166302285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).