4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide

C16H14N4O — CID 155557622

IUPAC4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide
SMILESCn1ccc(-c2cncc(-c3ccc(C(N)=O)cc3)c2)n1
InChIInChI=1S/C16H14N4O/c1-20-7-6-15(19-20)14-8-13(9-18-10-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)
InChIKeyXBIZZCKEMRXBBW-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.25
Rot. Bonds3

About 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide

4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide (PubChem CID 155557622) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide
PubChem CID155557622
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide
SMILESCn1ccc(-c2cncc(-c3ccc(C(N)=O)cc3)c2)n1
InChIInChI=1S/C16H14N4O/c1-20-7-6-15(19-20)14-8-13(9-18-10-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)
InChIKeyXBIZZCKEMRXBBW-UHFFFAOYSA-N
XLogP2.25
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide (CID 155557622) is 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide is Cn1ccc(-c2cncc(-c3ccc(C(N)=O)cc3)c2)n1.
What is the InChIKey of 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide?
The InChIKey is XBIZZCKEMRXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20-7-6-15(19-20)14-8-13(9-18-10-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21).
What are the key properties of 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide?
4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide has a molecular weight of 278.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-3-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 155557622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).