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

C16H11N5O — CID 95753100

IUPAC3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1
InChIInChI=1S/C16H11N5O/c17-10-11-2-1-3-13(8-11)16(22)19-15-9-14(20-21-15)12-4-6-18-7-5-12/h1-9H,(H2,19,20,21,22)
InChIKeyLMPQZDWEBFVTLQ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.60
Rot. Bonds3

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

3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 95753100) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
PubChem CID95753100
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1
InChIInChI=1S/C16H11N5O/c17-10-11-2-1-3-13(8-11)16(22)19-15-9-14(20-21-15)12-4-6-18-7-5-12/h1-9H,(H2,19,20,21,22)
InChIKeyLMPQZDWEBFVTLQ-UHFFFAOYSA-N
XLogP2.60
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
CID 58970133
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 100729318
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-cyano-N-[N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-N'-[(2S)-1-methoxypropan-2-yl]carbamimidoyl]benzamide
CID 126625746
3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
CID 61319190
1-N,3-N-bis(5-pyridin-2-yl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
CID 102492957
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (CID 95753100) is 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is N#Cc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.
What is the InChIKey of 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is LMPQZDWEBFVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c17-10-11-2-1-3-13(8-11)16(22)19-15-9-14(20-21-15)12-4-6-18-7-5-12/h1-9H,(H2,19,20,21,22).
What are the key properties of 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 95753100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).