(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide

C16H19N5O2 — CID 94667597

IUPAC(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide
SMILESCCO[C@H](CC)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C16H19N5O2/c1-3-14(23-4-2)16(22)20-12-5-7-13(8-6-12)21-15(18)11(9-17)10-19-21/h5-8,10,14H,3-4,18H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyRDQMRLYSVXTQOM-CQSZACIVSA-N
MW313.36 g/mol
LogP2.08
Rot. Bonds6

About (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide

(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide (PubChem CID 94667597) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide
PubChem CID94667597
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide
SMILESCCO[C@H](CC)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C16H19N5O2/c1-3-14(23-4-2)16(22)20-12-5-7-13(8-6-12)21-15(18)11(9-17)10-19-21/h5-8,10,14H,3-4,18H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyRDQMRLYSVXTQOM-CQSZACIVSA-N
XLogP2.08
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide?
The IUPAC name of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide (CID 94667597) is (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide.
What is the SMILES notation for (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide?
The canonical SMILES for (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide is CCO[C@H](CC)C(=O)Nc1ccc(-n2ncc(C#N)c2N)cc1.
What is the InChIKey of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide?
The InChIKey is RDQMRLYSVXTQOM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-14(23-4-2)16(22)20-12-5-7-13(8-6-12)21-15(18)11(9-17)10-19-21/h5-8,10,14H,3-4,18H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide?
(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide has a molecular weight of 313.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide is sourced from PubChem (CID 94667597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).