N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C19H17N3O2 — CID 850362

IUPACN-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H17N3O2/c1-13-18(12-20-22(13)17-9-4-3-5-10-17)19(24)21-16-8-6-7-15(11-16)14(2)23/h3-12H,1-2H3,(H,21,24)
InChIKeyHCZAFDOZYCVIKS-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.64
Rot. Bonds4

About N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850362) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850362
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H17N3O2/c1-13-18(12-20-22(13)17-9-4-3-5-10-17)19(24)21-16-8-6-7-15(11-16)14(2)23/h3-12H,1-2H3,(H,21,24)
InChIKeyHCZAFDOZYCVIKS-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850362) is N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HCZAFDOZYCVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-18(12-20-22(13)17-9-4-3-5-10-17)19(24)21-16-8-6-7-15(11-16)14(2)23/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).