N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C10H9F2N7 — CID 67466518

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESFC(F)Cn1cc(Nc2ncc3cn[nH]c3n2)cn1
InChIInChI=1S/C10H9F2N7/c11-8(12)5-19-4-7(3-15-19)16-10-13-1-6-2-14-18-9(6)17-10/h1-4,8H,5H2,(H2,13,14,16,17,18)
InChIKeyQKEGASSAPDDUFZ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.56
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 67466518) has the molecular formula C10H9F2N7 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID67466518
Molecular FormulaC10H9F2N7
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESFC(F)Cn1cc(Nc2ncc3cn[nH]c3n2)cn1
InChIInChI=1S/C10H9F2N7/c11-8(12)5-19-4-7(3-15-19)16-10-13-1-6-2-14-18-9(6)17-10/h1-4,8H,5H2,(H2,13,14,16,17,18)
InChIKeyQKEGASSAPDDUFZ-UHFFFAOYSA-N
XLogP1.56
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 67466518) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine is FC(F)Cn1cc(Nc2ncc3cn[nH]c3n2)cn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is QKEGASSAPDDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N7/c11-8(12)5-19-4-7(3-15-19)16-10-13-1-6-2-14-18-9(6)17-10/h1-4,8H,5H2,(H2,13,14,16,17,18).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 265.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 67466518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).