5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium

C17H12Cl2N5O+ — CID 10833066

IUPAC5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium
SMILESCc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)c1[N+]#N
InChIInChI=1S/C17H11Cl2N5O/c1-10-15(22-20)16(24(23-10)12-5-3-2-4-6-12)21-17(25)13-8-7-11(18)9-14(13)19/h2-9H,1H3/p+1
InChIKeyYGPDGCPCFNZGLV-UHFFFAOYSA-O
MW373.22 g/mol
LogP5.22
Rot. Bonds3

About 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium

5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium (PubChem CID 10833066) has the molecular formula C17H12Cl2N5O+ and a molecular weight of 373.22 g/mol. Its IUPAC name is 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium.

Molecular Properties

Compound Name5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium
PubChem CID10833066
Molecular FormulaC17H12Cl2N5O+
Molecular Weight373.22 g/mol
Exact Mass372.04
IUPAC Name5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium
SMILESCc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)c1[N+]#N
InChIInChI=1S/C17H11Cl2N5O/c1-10-15(22-20)16(24(23-10)12-5-3-2-4-6-12)21-17(25)13-8-7-11(18)9-14(13)19/h2-9H,1H3/p+1
InChIKeyYGPDGCPCFNZGLV-UHFFFAOYSA-O
XLogP5.22
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
CID 21369217
5-benzamido-1-(4-methoxyphenyl)-3-methylpyrazole-4-diazonium
CID 10568626
2,4-dichloro-N-[(5S)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 41060093
2,4-dichloro-N-[2-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)amino]-2-oxoethyl]benzamide
CID 108753739
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754
[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino] 2,4-dichlorobenzoate
CID 18833306
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium?
The IUPAC name of 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium (CID 10833066) is 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium.
What is the SMILES notation for 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium?
The canonical SMILES for 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium is Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2Cl)c1[N+]#N.
What is the InChIKey of 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium?
The InChIKey is YGPDGCPCFNZGLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H11Cl2N5O/c1-10-15(22-20)16(24(23-10)12-5-3-2-4-6-12)21-17(25)13-8-7-11(18)9-14(13)19/h2-9H,1H3/p+1.
What are the key properties of 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium?
5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium has a molecular weight of 373.22 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorobenzoyl)amino]-3-methyl-1-phenylpyrazole-4-diazonium is sourced from PubChem (CID 10833066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).