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

C13H11N7O2 — CID 166772687

IUPAC3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1cc(C#N)cn1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C13H11N7O2/c1-13(22,8-20-7-9(2-14)4-18-20)12(21)19-10-5-16-11(3-15)17-6-10/h4-7,22H,8H2,1H3,(H,19,21)
InChIKeyUNLAEURJKHNKFD-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.19
Rot. Bonds4

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

3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 166772687) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
PubChem CID166772687
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(Cn1cc(C#N)cn1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C13H11N7O2/c1-13(22,8-20-7-9(2-14)4-18-20)12(21)19-10-5-16-11(3-15)17-6-10/h4-7,22H,8H2,1H3,(H,19,21)
InChIKeyUNLAEURJKHNKFD-UHFFFAOYSA-N
XLogP-0.19
TPSA140.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US11344549, Example 10
CID 138495215
US11344549, Example 22
CID 165112235
US11344549, Example 23
CID 165112236
US11344549, Example 24
CID 165112237
(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 156841932
(2S)-N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybutanamide
CID 156876132
N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 166772684
(2S)-N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybut-3-enamide
CID 166779967
N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybut-3-ynamide
CID 166780007
(2S)-N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybut-3-ynamide
CID 166780043
4-(Cyanomethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 154628199
4-(2-Hydroxyethylamino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 154628201

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide (CID 166772687) is 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide is CC(O)(Cn1cc(C#N)cn1)C(=O)Nc1cnc(C#N)nc1.
What is the InChIKey of 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is UNLAEURJKHNKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2/c1-13(22,8-20-7-9(2-14)4-18-20)12(21)19-10-5-16-11(3-15)17-6-10/h4-7,22H,8H2,1H3,(H,19,21).
What are the key properties of 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 297.28 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 166772687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).