N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide

C12H11FN6O2 — CID 166772684

IUPACN-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C12H11FN6O2/c1-12(21,7-19-6-8(13)3-17-19)11(20)18-9-4-15-10(2-14)16-5-9/h3-6,21H,7H2,1H3,(H,18,20)
InChIKeyFAFPOKAZYQVXLB-UHFFFAOYSA-N
MW290.26 g/mol
LogP0.07
Rot. Bonds4

About N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide

N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 166772684) has the molecular formula C12H11FN6O2 and a molecular weight of 290.26 g/mol. Its IUPAC name is N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID166772684
Molecular FormulaC12H11FN6O2
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC NameN-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C12H11FN6O2/c1-12(21,7-19-6-8(13)3-17-19)11(20)18-9-4-15-10(2-14)16-5-9/h3-6,21H,7H2,1H3,(H,18,20)
InChIKeyFAFPOKAZYQVXLB-UHFFFAOYSA-N
XLogP0.07
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide (CID 166772684) is N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide is CC(O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)nc1.
What is the InChIKey of N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is FAFPOKAZYQVXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6O2/c1-12(21,7-19-6-8(13)3-17-19)11(20)18-9-4-15-10(2-14)16-5-9/h3-6,21H,7H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 290.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 166772684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).