N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

C22H23ClN4O2 — CID 55946238

IUPACN-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-2-20-19(15-25-27(20)18-7-4-3-5-8-18)22(29)24-14-6-9-21(28)26-17-12-10-16(23)11-13-17/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,24,29)(H,26,28)
InChIKeyDZZUEHRMBPUBEB-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.24
Rot. Bonds8

About N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 55946238) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID55946238
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1
InChIInChI=1S/C22H23ClN4O2/c1-2-20-19(15-25-27(20)18-7-4-3-5-8-18)22(29)24-14-6-9-21(28)26-17-12-10-16(23)11-13-17/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,24,29)(H,26,28)
InChIKeyDZZUEHRMBPUBEB-UHFFFAOYSA-N
XLogP4.24
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569976
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
tert-butyl 4-[3-[(5-ethyl-1-phenylpyrazole-4-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55866016
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 55946238) is N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DZZUEHRMBPUBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-2-20-19(15-25-27(20)18-7-4-3-5-8-18)22(29)24-14-6-9-21(28)26-17-12-10-16(23)11-13-17/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxobutyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55946238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).