4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide

C22H15Cl2N7O — CID 162439993

IUPAC4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C22H15Cl2N7O/c23-15-4-3-5-16(24)21(15)30-12-18(20(28-30)22(25)32)26-13-8-10-14(11-9-13)31-19-7-2-1-6-17(19)27-29-31/h1-12,26H,(H2,25,32)
InChIKeyORROSRDLAVLHEF-UHFFFAOYSA-N
MW464.32 g/mol
LogP4.76
Rot. Bonds5

About 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide

4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide (PubChem CID 162439993) has the molecular formula C22H15Cl2N7O and a molecular weight of 464.32 g/mol. Its IUPAC name is 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
PubChem CID162439993
Molecular FormulaC22H15Cl2N7O
Molecular Weight464.32 g/mol
Exact Mass463.07
IUPAC Name4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C22H15Cl2N7O/c23-15-4-3-5-16(24)21(15)30-12-18(20(28-30)22(25)32)26-13-8-10-14(11-9-13)31-19-7-2-1-6-17(19)27-29-31/h1-12,26H,(H2,25,32)
InChIKeyORROSRDLAVLHEF-UHFFFAOYSA-N
XLogP4.76
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
CID 162440198
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475
1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
CID 162440132
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
CID 162440340
1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
CID 162440284
1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440287
1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440488
1-(2,6-dichlorophenyl)-4-[4-[2-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]anilino]pyrazole-3-carboxamide
CID 162439995
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440046
1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide
CID 162440656
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440450

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide (CID 162439993) is 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1ccc(-n2nnc3ccccc32)cc1.
What is the InChIKey of 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is ORROSRDLAVLHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N7O/c23-15-4-3-5-16(24)21(15)30-12-18(20(28-30)22(25)32)26-13-8-10-14(11-9-13)31-19-7-2-1-6-17(19)27-29-31/h1-12,26H,(H2,25,32).
What are the key properties of 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide?
4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 464.32 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 162439993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).