2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide

C23H21N5O — CID 69277803

IUPAC2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C23H21N5O/c1-16-9-11-19(12-10-16)28-22(14-17(2)27-28)26-21-8-4-3-7-20(21)23(29)25-18-6-5-13-24-15-18/h3-15,26H,1-2H3,(H,25,29)
InChIKeyVJYLPHIMVUQQSI-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.88
Rot. Bonds5

About 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide

2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide (PubChem CID 69277803) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide
PubChem CID69277803
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C23H21N5O/c1-16-9-11-19(12-10-16)28-22(14-17(2)27-28)26-21-8-4-3-7-20(21)23(29)25-18-6-5-13-24-15-18/h3-15,26H,1-2H3,(H,25,29)
InChIKeyVJYLPHIMVUQQSI-UHFFFAOYSA-N
XLogP4.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyrazine-2-carboxamide
CID 43036761
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
2-(4-carbamoylanilino)-N-pyridin-3-ylbenzamide
CID 163309934
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
2-[(2-methoxyacetyl)amino]-N-pyridin-3-ylbenzamide
CID 30337604
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide (CID 69277803) is 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide is Cc1ccc(-n2nc(C)cc2Nc2ccccc2C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide?
The InChIKey is VJYLPHIMVUQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-9-11-19(12-10-16)28-22(14-17(2)27-28)26-21-8-4-3-7-20(21)23(29)25-18-6-5-13-24-15-18/h3-15,26H,1-2H3,(H,25,29).
What are the key properties of 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide?
2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide has a molecular weight of 383.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 69277803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).