5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide

C20H18Cl2N6O4 — CID 50907759

IUPAC5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NOC)n(-c2ncccc2Cl)n1
InChIInChI=1S/C20H18Cl2N6O4/c1-10-7-11(21)8-12(18(29)27-32-3)16(10)25-20(31)15-9-14(19(30)23-2)26-28(15)17-13(22)5-4-6-24-17/h4-9H,1-3H3,(H,23,30)(H,25,31)(H,27,29)
InChIKeyCLPXEWFLPVFLJF-UHFFFAOYSA-N
MW477.31 g/mol
LogP2.79
Rot. Bonds6

About 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide

5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide (PubChem CID 50907759) has the molecular formula C20H18Cl2N6O4 and a molecular weight of 477.31 g/mol. Its IUPAC name is 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
PubChem CID50907759
Molecular FormulaC20H18Cl2N6O4
Molecular Weight477.31 g/mol
Exact Mass476.08
IUPAC Name5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NOC)n(-c2ncccc2Cl)n1
InChIInChI=1S/C20H18Cl2N6O4/c1-10-7-11(21)8-12(18(29)27-32-3)16(10)25-20(31)15-9-14(19(30)23-2)26-28(15)17-13(22)5-4-6-24-17/h4-9H,1-3H3,(H,23,30)(H,25,31)(H,27,29)
InChIKeyCLPXEWFLPVFLJF-UHFFFAOYSA-N
XLogP2.79
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.31
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide 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-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
CID 150740262
5-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-N-[4-(trifluoromethyl)phenyl]pyrazole-3,5-dicarboxamide
CID 58057053
3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 50905436
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
CID 141260277
ethyl 5-[[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 50907334
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
N-[2-[(2-anilino-2-oxoethoxy)carbamoyl]-4-chloro-6-methylphenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 71512324
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(methylsulfanylmethyl)pyrazole-5-carboxamide
CID 167452057
N-[2-bromo-4-chloro-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202211
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-3-[[4-(2-chlorophenyl)triazol-1-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 58507136

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide (CID 50907759) is 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)NOC)n(-c2ncccc2Cl)n1.
What is the InChIKey of 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide?
The InChIKey is CLPXEWFLPVFLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O4/c1-10-7-11(21)8-12(18(29)27-32-3)16(10)25-20(31)15-9-14(19(30)23-2)26-28(15)17-13(22)5-4-6-24-17/h4-9H,1-3H3,(H,23,30)(H,25,31)(H,27,29).
What are the key properties of 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide?
5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide has a molecular weight of 477.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 50907759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).