3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide

C18H15Cl2N5O3 — CID 141260277

IUPAC3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
SMILESCONC(=O)c1cccc(C)c1NC(=O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C18H15Cl2N5O3/c1-10-5-3-6-11(17(26)24-28-2)15(10)22-18(27)13-9-14(20)23-25(13)16-12(19)7-4-8-21-16/h3-9H,1-2H3,(H,22,27)(H,24,26)
InChIKeyICNHRGBHMXHXNL-UHFFFAOYSA-N
MW420.26 g/mol
LogP3.43
Rot. Bonds5

About 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide

3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide (PubChem CID 141260277) has the molecular formula C18H15Cl2N5O3 and a molecular weight of 420.26 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
PubChem CID141260277
Molecular FormulaC18H15Cl2N5O3
Molecular Weight420.26 g/mol
Exact Mass419.06
IUPAC Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
SMILESCONC(=O)c1cccc(C)c1NC(=O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C18H15Cl2N5O3/c1-10-5-3-6-11(17(26)24-28-2)15(10)22-18(27)13-9-14(20)23-25(13)16-12(19)7-4-8-21-16/h3-9H,1-2H3,(H,22,27)(H,24,26)
InChIKeyICNHRGBHMXHXNL-UHFFFAOYSA-N
XLogP3.43
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]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

methyl 2-[[2-[[2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylbenzoyl]amino]acetate
CID 58202388
5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 50907759
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dibromo-6-(methoxycarbamoyl)phenyl]pyrazole-5-carboxamide
CID 141466648
N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
CID 150740262
3-bromo-1-(3-chloro-2-pyridinyl)-N-(2-cyano-6-methylphenyl)pyrazole-5-carboxamide
CID 71517335
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146
[(E)-[amino-(2-methylphenyl)methylidene]amino] 2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoate
CID 71724082
N-[2-[(2-anilino-2-oxoethoxy)carbamoyl]-4-chloro-6-methylphenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 71512324
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202337
3-chloro-N',1-bis(3-chloro-2-pyridinyl)pyrazole-5-carbohydrazide
CID 57381412

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide (CID 141260277) is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide is CONC(=O)c1cccc(C)c1NC(=O)c1cc(Cl)nn1-c1ncccc1Cl.
What is the InChIKey of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide?
The InChIKey is ICNHRGBHMXHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O3/c1-10-5-3-6-11(17(26)24-28-2)15(10)22-18(27)13-9-14(20)23-25(13)16-12(19)7-4-8-21-16/h3-9H,1-2H3,(H,22,27)(H,24,26).
What are the key properties of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide?
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide has a molecular weight of 420.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 141260277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).