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

C16H14N4O — CID 95753070

IUPAC3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1
InChIInChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)16(21)18-15-10-14(19-20-15)12-5-7-17-8-6-12/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyIKQCUALJUJEUOA-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.03
Rot. Bonds3

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

3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 95753070) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
PubChem CID95753070
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1
InChIInChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)16(21)18-15-10-14(19-20-15)12-5-7-17-8-6-12/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyIKQCUALJUJEUOA-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753100
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 100729318
1-N,3-N-bis(5-pyridin-2-yl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
CID 102492957
1,5-dimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752897
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
CID 139318660
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
6-bromo-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 118716976
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (CID 95753070) is 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.
What is the InChIKey of 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is IKQCUALJUJEUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)16(21)18-15-10-14(19-20-15)12-5-7-17-8-6-12/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 278.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 95753070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).