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

C20H19Cl2N5O3 — CID 162440284

IUPAC1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1
InChIInChI=1S/C20H19Cl2N5O3/c1-30-10-9-24-20(29)12-5-7-13(8-6-12)25-16-11-27(26-17(16)19(23)28)18-14(21)3-2-4-15(18)22/h2-8,11,25H,9-10H2,1H3,(H2,23,28)(H,24,29)
InChIKeyVKJYDAGFPSLCFX-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.40
Rot. Bonds8

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

1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide (PubChem CID 162440284) has the molecular formula C20H19Cl2N5O3 and a molecular weight of 448.31 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
PubChem CID162440284
Molecular FormulaC20H19Cl2N5O3
Molecular Weight448.31 g/mol
Exact Mass447.09
IUPAC Name1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1
InChIInChI=1S/C20H19Cl2N5O3/c1-30-10-9-24-20(29)12-5-7-13(8-6-12)25-16-11-27(26-17(16)19(23)28)18-14(21)3-2-4-15(18)22/h2-8,11,25H,9-10H2,1H3,(H2,23,28)(H,24,29)
InChIKeyVKJYDAGFPSLCFX-UHFFFAOYSA-N
XLogP3.40
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
CID 162440340
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440450
1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide
CID 162440073
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
4-[[4-(2-chloroanilino)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 71499990
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836074
4-[[6-[4-cyano-1-(2-hydroxyethyl)imidazol-2-yl]-3-pyridinyl]amino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 162440202
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114069
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide (CID 162440284) is 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide is COCCNC(=O)c1ccc(Nc2cn(-c3c(Cl)cccc3Cl)nc2C(N)=O)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide?
The InChIKey is VKJYDAGFPSLCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O3/c1-30-10-9-24-20(29)12-5-7-13(8-6-12)25-16-11-27(26-17(16)19(23)28)18-14(21)3-2-4-15(18)22/h2-8,11,25H,9-10H2,1H3,(H2,23,28)(H,24,29).
What are the key properties of 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide?
1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide has a molecular weight of 448.31 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide is sourced from PubChem (CID 162440284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).