N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide

C11H9N5O — CID 166593592

IUPACN-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2)n[nH]c1N
InChIInChI=1S/C11H9N5O/c12-6-8-9(13)15-16-10(8)14-11(17)7-4-2-1-3-5-7/h1-5H,(H4,13,14,15,16,17)
InChIKeyYRXJLDARLGESIL-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.12
Rot. Bonds2

About N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide

N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide (PubChem CID 166593592) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide
PubChem CID166593592
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC NameN-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide
SMILESN#Cc1c(NC(=O)c2ccccc2)n[nH]c1N
InChIInChI=1S/C11H9N5O/c12-6-8-9(13)15-16-10(8)14-11(17)7-4-2-1-3-5-7/h1-5H,(H4,13,14,15,16,17)
InChIKeyYRXJLDARLGESIL-UHFFFAOYSA-N
XLogP1.12
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide?
The IUPAC name of N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide (CID 166593592) is N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide is N#Cc1c(NC(=O)c2ccccc2)n[nH]c1N.
What is the InChIKey of N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide?
The InChIKey is YRXJLDARLGESIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-6-8-9(13)15-16-10(8)14-11(17)7-4-2-1-3-5-7/h1-5H,(H4,13,14,15,16,17).
What are the key properties of N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide?
N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide has a molecular weight of 227.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-cyano-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 166593592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).