N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine

C9H9F2N5 — CID 171614260

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESFC(F)Cn1cc(Nc2ccncn2)cn1
InChIInChI=1S/C9H9F2N5/c10-8(11)5-16-4-7(3-14-16)15-9-1-2-12-6-13-9/h1-4,6,8H,5H2,(H,12,13,15)
InChIKeyOCHDYTNZVCISRZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.68
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 171614260) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID171614260
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESFC(F)Cn1cc(Nc2ccncn2)cn1
InChIInChI=1S/C9H9F2N5/c10-8(11)5-16-4-7(3-14-16)15-9-1-2-12-6-13-9/h1-4,6,8H,5H2,(H,12,13,15)
InChIKeyOCHDYTNZVCISRZ-UHFFFAOYSA-N
XLogP1.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine (CID 171614260) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine is FC(F)Cn1cc(Nc2ccncn2)cn1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is OCHDYTNZVCISRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c10-8(11)5-16-4-7(3-14-16)15-9-1-2-12-6-13-9/h1-4,6,8H,5H2,(H,12,13,15).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 225.20 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 171614260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).