3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide

C23H20N4O — CID 166490586

IUPAC3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C23H20N4O/c1-14-12-18(6-7-20(14)17-4-3-5-19(13-17)23(24)28)21-15(2)26-27-22(21)16-8-10-25-11-9-16/h3-13H,1-2H3,(H2,24,28)(H,26,27)
InChIKeyOXHAWERSRDFGFT-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.52
Rot. Bonds4

About 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide

3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide (PubChem CID 166490586) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide
PubChem CID166490586
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(C(N)=O)c1
InChIInChI=1S/C23H20N4O/c1-14-12-18(6-7-20(14)17-4-3-5-19(13-17)23(24)28)21-15(2)26-27-22(21)16-8-10-25-11-9-16/h3-13H,1-2H3,(H2,24,28)(H,26,27)
InChIKeyOXHAWERSRDFGFT-UHFFFAOYSA-N
XLogP4.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide (CID 166490586) is 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide is Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide?
The InChIKey is OXHAWERSRDFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-14-12-18(6-7-20(14)17-4-3-5-19(13-17)23(24)28)21-15(2)26-27-22(21)16-8-10-25-11-9-16/h3-13H,1-2H3,(H2,24,28)(H,26,27).
What are the key properties of 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide?
3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 166490586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).