N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide

C17H11FN4O — CID 722799

IUPACN-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C17H11FN4O/c18-15-9-5-4-8-14(15)17(23)21-16-12(10-19)11-20-22(16)13-6-2-1-3-7-13/h1-9,11H,(H,21,23)
InChIKeyPQEAWKICBGNEFF-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.14
Rot. Bonds3

About N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide

N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide (PubChem CID 722799) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide
PubChem CID722799
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC NameN-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide
SMILESN#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C17H11FN4O/c18-15-9-5-4-8-14(15)17(23)21-16-12(10-19)11-20-22(16)13-6-2-1-3-7-13/h1-9,11H,(H,21,23)
InChIKeyPQEAWKICBGNEFF-UHFFFAOYSA-N
XLogP3.14
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide?
The IUPAC name of N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide (CID 722799) is N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide is N#Cc1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F.
What is the InChIKey of N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide?
The InChIKey is PQEAWKICBGNEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-15-9-5-4-8-14(15)17(23)21-16-12(10-19)11-20-22(16)13-6-2-1-3-7-13/h1-9,11H,(H,21,23).
What are the key properties of N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide?
N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide has a molecular weight of 306.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-phenylpyrazol-5-yl)-2-fluorobenzamide is sourced from PubChem (CID 722799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).