4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide

C19H16Cl2N4O2 — CID 17022084

IUPAC4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H16Cl2N4O2/c1-2-25-11-16(23-18(26)14-9-8-12(20)10-15(14)21)17(24-25)19(27)22-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,27)(H,23,26)
InChIKeyNIFZKGCNOAGRND-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.71
Rot. Bonds5

About 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide

4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide (PubChem CID 17022084) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
PubChem CID17022084
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC Name4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H16Cl2N4O2/c1-2-25-11-16(23-18(26)14-9-8-12(20)10-15(14)21)17(24-25)19(27)22-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,27)(H,23,26)
InChIKeyNIFZKGCNOAGRND-UHFFFAOYSA-N
XLogP4.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
CID 19404758
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19270655
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 4865294
4-[[4-[(4-bromo-2-chlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404736
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19517011
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide (CID 17022084) is 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is NIFZKGCNOAGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-2-25-11-16(23-18(26)14-9-8-12(20)10-15(14)21)17(24-25)19(27)22-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide has a molecular weight of 403.27 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 17022084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).