2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H10F3N5O — CID 162645681

IUPAC2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1cc(C2CC2)nn1-c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)7-4-9(20)17-10(16-7)19-8(15)3-6(18-19)5-1-2-5/h3-5H,1-2,15H2,(H,16,17,20)
InChIKeyQKJVGDNRAUNNOC-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.43
Rot. Bonds2

About 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162645681) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162645681
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1cc(C2CC2)nn1-c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)7-4-9(20)17-10(16-7)19-8(15)3-6(18-19)5-1-2-5/h3-5H,1-2,15H2,(H,16,17,20)
InChIKeyQKJVGDNRAUNNOC-UHFFFAOYSA-N
XLogP1.43
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162645681) is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is Nc1cc(C2CC2)nn1-c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is QKJVGDNRAUNNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)7-4-9(20)17-10(16-7)19-8(15)3-6(18-19)5-1-2-5/h3-5H,1-2,15H2,(H,16,17,20).
What are the key properties of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 285.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162645681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).