1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide

C23H26ClN5O — CID 55773781

IUPAC1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)c(C)c2)CC1
InChIInChI=1S/C23H26ClN5O/c1-3-27-10-12-28(13-11-27)21-8-9-22(17(2)14-21)26-23(30)18-15-25-29(16-18)20-6-4-19(24)5-7-20/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,30)
InChIKeyZEPCQHGXGRZSNP-UHFFFAOYSA-N
MW423.95 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide (PubChem CID 55773781) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
PubChem CID55773781
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)c(C)c2)CC1
InChIInChI=1S/C23H26ClN5O/c1-3-27-10-12-28(13-11-27)21-8-9-22(17(2)14-21)26-23(30)18-15-25-29(16-18)20-6-4-19(24)5-7-20/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,30)
InChIKeyZEPCQHGXGRZSNP-UHFFFAOYSA-N
XLogP4.23
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
2-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]quinoline-6-carboxamide
CID 55731125
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 36566710
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168773
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46636846
2-[(4-chlorophenoxy)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55448038

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide (CID 55773781) is 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)c(C)c2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide?
The InChIKey is ZEPCQHGXGRZSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-3-27-10-12-28(13-11-27)21-8-9-22(17(2)14-21)26-23(30)18-15-25-29(16-18)20-6-4-19(24)5-7-20/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,30).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide has a molecular weight of 423.95 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55773781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).