N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide

C13H12N4O2 — CID 71979949

IUPACN-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C#N)ccc2O)cn1
InChIInChI=1S/C13H12N4O2/c1-2-17-8-10(7-15-17)13(19)16-11-5-9(6-14)3-4-12(11)18/h3-5,7-8,18H,2H2,1H3,(H,16,19)
InChIKeyWYYJUWIZCSCDRL-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.73
Rot. Bonds3

About N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide

N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 71979949) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
PubChem CID71979949
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(C#N)ccc2O)cn1
InChIInChI=1S/C13H12N4O2/c1-2-17-8-10(7-15-17)13(19)16-11-5-9(6-14)3-4-12(11)18/h3-5,7-8,18H,2H2,1H3,(H,16,19)
InChIKeyWYYJUWIZCSCDRL-UHFFFAOYSA-N
XLogP1.73
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide (CID 71979949) is N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cc(C#N)ccc2O)cn1.
What is the InChIKey of N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is WYYJUWIZCSCDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-17-8-10(7-15-17)13(19)16-11-5-9(6-14)3-4-12(11)18/h3-5,7-8,18H,2H2,1H3,(H,16,19).
What are the key properties of N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide?
N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 71979949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).