3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C20H13Cl4N5O — CID 19395675

IUPAC3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C20H13Cl4N5O/c21-11-4-5-13(17(24)6-11)18-7-19(28-27-18)20(30)26-12-8-25-29(9-12)10-14-15(22)2-1-3-16(14)23/h1-9H,10H2,(H,26,30)(H,27,28)
InChIKeyQMOFVEZSJKMUDP-UHFFFAOYSA-N
MW481.17 g/mol
LogP6.19
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19395675) has the molecular formula C20H13Cl4N5O and a molecular weight of 481.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID19395675
Molecular FormulaC20H13Cl4N5O
Molecular Weight481.17 g/mol
Exact Mass478.99
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C20H13Cl4N5O/c21-11-4-5-13(17(24)6-11)18-7-19(28-27-18)20(30)26-12-8-25-29(9-12)10-14-15(22)2-1-3-16(14)23/h1-9H,10H2,(H,26,30)(H,27,28)
InChIKeyQMOFVEZSJKMUDP-UHFFFAOYSA-N
XLogP6.19
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.17
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-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

N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19397544
3-(2,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509948
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510167
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510337
4,5-dibromo-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19395542
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451
3-(2,4-dichlorophenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19510199
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343051

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 19395675) is 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is QMOFVEZSJKMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl4N5O/c21-11-4-5-13(17(24)6-11)18-7-19(28-27-18)20(30)26-12-8-25-29(9-12)10-14-15(22)2-1-3-16(14)23/h1-9H,10H2,(H,26,30)(H,27,28).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 481.17 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19395675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).