4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide

C10H7FN6O — CID 166397649

IUPAC4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnc2ccnn2c1)c1[nH]ncc1F
InChIInChI=1S/C10H7FN6O/c11-7-4-13-16-9(7)10(18)15-6-3-12-8-1-2-14-17(8)5-6/h1-5H,(H,13,16)(H,15,18)
InChIKeyRKIWBRAARSDLME-UHFFFAOYSA-N
MW246.21 g/mol
LogP0.84
Rot. Bonds2

About 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide

4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide (PubChem CID 166397649) has the molecular formula C10H7FN6O and a molecular weight of 246.21 g/mol. Its IUPAC name is 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide
PubChem CID166397649
Molecular FormulaC10H7FN6O
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnc2ccnn2c1)c1[nH]ncc1F
InChIInChI=1S/C10H7FN6O/c11-7-4-13-16-9(7)10(18)15-6-3-12-8-1-2-14-17(8)5-6/h1-5H,(H,13,16)(H,15,18)
InChIKeyRKIWBRAARSDLME-UHFFFAOYSA-N
XLogP0.84
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide (CID 166397649) is 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide is O=C(Nc1cnc2ccnn2c1)c1[nH]ncc1F.
What is the InChIKey of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide?
The InChIKey is RKIWBRAARSDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN6O/c11-7-4-13-16-9(7)10(18)15-6-3-12-8-1-2-14-17(8)5-6/h1-5H,(H,13,16)(H,15,18).
What are the key properties of 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide?
4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide has a molecular weight of 246.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166397649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).