N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide

C20H19ClN4O2 — CID 1147396

IUPACN-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1C
InChIInChI=1S/C20H19ClN4O2/c1-12-11-15(9-10-17(12)22-14(3)26)23-20(27)18-13(2)24-25(19(18)21)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,22,26)(H,23,27)
InChIKeyNEOVEBXUPVDKIZ-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.35
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide

N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 1147396) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID1147396
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1C
InChIInChI=1S/C20H19ClN4O2/c1-12-11-15(9-10-17(12)22-14(3)26)23-20(27)18-13(2)24-25(19(18)21)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,22,26)(H,23,27)
InChIKeyNEOVEBXUPVDKIZ-UHFFFAOYSA-N
XLogP4.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 46550260
5-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78776531
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26245567
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9209660
5-chloro-N-(4-fluoro-3-nitrophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 94866770
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide (CID 1147396) is N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is NEOVEBXUPVDKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-11-15(9-10-17(12)22-14(3)26)23-20(27)18-13(2)24-25(19(18)21)16-7-5-4-6-8-16/h4-11H,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1147396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).