3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide

C19H18N4O2 — CID 5219026

IUPAC3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccn(C(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H18N4O2/c1-13-8-9-16(14(2)12-13)21-18(24)17-10-11-23(22-17)19(25)20-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,25)(H,21,24)
InChIKeyPQJCMDLWTYZJFV-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.83
Rot. Bonds3

About 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide

3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide (PubChem CID 5219026) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide
PubChem CID5219026
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccn(C(=O)Nc3ccccc3)n2)c(C)c1
InChIInChI=1S/C19H18N4O2/c1-13-8-9-16(14(2)12-13)21-18(24)17-10-11-23(22-17)19(25)20-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,25)(H,21,24)
InChIKeyPQJCMDLWTYZJFV-UHFFFAOYSA-N
XLogP3.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide (CID 5219026) is 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide is Cc1ccc(NC(=O)c2ccn(C(=O)Nc3ccccc3)n2)c(C)c1.
What is the InChIKey of 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide?
The InChIKey is PQJCMDLWTYZJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-8-9-16(14(2)12-13)21-18(24)17-10-11-23(22-17)19(25)20-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide?
3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethylphenyl)-1-N-phenylpyrazole-1,3-dicarboxamide is sourced from PubChem (CID 5219026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).