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

C19H16ClN3O2 — CID 1128984

IUPACN-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-17(18(20)23(22-12)16-6-4-3-5-7-16)19(25)21-15-10-8-14(9-11-15)13(2)24/h3-11H,1-2H3,(H,21,25)
InChIKeyHAVZNNMYKJKCPM-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.29
Rot. Bonds4

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

N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 1128984) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID1128984
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-12-17(18(20)23(22-12)16-6-4-3-5-7-16)19(25)21-15-10-8-14(9-11-15)13(2)24/h3-11H,1-2H3,(H,21,25)
InChIKeyHAVZNNMYKJKCPM-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide (CID 1128984) is N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is HAVZNNMYKJKCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-17(18(20)23(22-12)16-6-4-3-5-7-16)19(25)21-15-10-8-14(9-11-15)13(2)24/h3-11H,1-2H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1128984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).