1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide

C22H20Cl2N6O — CID 162440475

IUPAC1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
SMILESCCc1c(C)cnn1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1
InChIInChI=1S/C22H20Cl2N6O/c1-3-19-13(2)11-26-30(19)15-9-7-14(8-10-15)27-18-12-29(28-20(18)22(25)31)21-16(23)5-4-6-17(21)24/h4-12,27H,3H2,1-2H3,(H2,25,31)
InChIKeyDLCXRPVODLTLFF-UHFFFAOYSA-N
MW455.35 g/mol
LogP5.08
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide

1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide (PubChem CID 162440475) has the molecular formula C22H20Cl2N6O and a molecular weight of 455.35 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
PubChem CID162440475
Molecular FormulaC22H20Cl2N6O
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC Name1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
SMILESCCc1c(C)cnn1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1
InChIInChI=1S/C22H20Cl2N6O/c1-3-19-13(2)11-26-30(19)15-9-7-14(8-10-15)27-18-12-29(28-20(18)22(25)31)21-16(23)5-4-6-17(21)24/h4-12,27H,3H2,1-2H3,(H2,25,31)
InChIKeyDLCXRPVODLTLFF-UHFFFAOYSA-N
XLogP5.08
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
CID 162440198
4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 162439993
1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440488
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-[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-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
CID 162440132
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-[(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 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide (CID 162440475) is 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide is CCc1c(C)cnn1-c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide?
The InChIKey is DLCXRPVODLTLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6O/c1-3-19-13(2)11-26-30(19)15-9-7-14(8-10-15)27-18-12-29(28-20(18)22(25)31)21-16(23)5-4-6-17(21)24/h4-12,27H,3H2,1-2H3,(H2,25,31).
What are the key properties of 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide?
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).