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

C13H11N7O2 — CID 156841940

IUPAC(2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](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)/t13-/m0/s1
InChIKeyUNLAEURJKHNKFD-ZDUSSCGKSA-N
MW297.28 g/mol
LogP-0.19
Rot. Bonds4

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

(2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 156841940) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
PubChem CID156841940
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](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)/t13-/m0/s1
InChIKeyUNLAEURJKHNKFD-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide (CID 156841940) is (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide is C[C@](O)(Cn1cc(C#N)cn1)C(=O)Nc1cnc(C#N)nc1.
What is the InChIKey of (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is UNLAEURJKHNKFD-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide?
(2S)-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 (2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 156841940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).