2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine

C8H7F2N5 — CID 167425447

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C8H7F2N5/c9-8(10)15-4-5(3-13-15)7-12-2-1-6(11)14-7/h1-4,8H,(H2,11,12,14)
InChIKeyHDERQMKDBJLZLF-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.32
Rot. Bonds2

About 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine

2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 167425447) has the molecular formula C8H7F2N5 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID167425447
Molecular FormulaC8H7F2N5
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(C(F)F)c2)n1
InChIInChI=1S/C8H7F2N5/c9-8(10)15-4-5(3-13-15)7-12-2-1-6(11)14-7/h1-4,8H,(H2,11,12,14)
InChIKeyHDERQMKDBJLZLF-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine (CID 167425447) is 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine is Nc1ccnc(-c2cnn(C(F)F)c2)n1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is HDERQMKDBJLZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N5/c9-8(10)15-4-5(3-13-15)7-12-2-1-6(11)14-7/h1-4,8H,(H2,11,12,14).
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine?
2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 211.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 167425447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).