2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide

C20H18Cl2N4O2 — CID 154494235

IUPAC2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1ccnn1-c1ccccc1Cl
InChIInChI=1S/C20H18Cl2N4O2/c1-12(2)24-19(27)13-6-5-8-15(22)18(13)25-20(28)17-10-11-23-26(17)16-9-4-3-7-14(16)21/h3-12H,1-2H3,(H,24,27)(H,25,28)
InChIKeyAIGLHHGJQBBLSP-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.57
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide

2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 154494235) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID154494235
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1ccnn1-c1ccccc1Cl
InChIInChI=1S/C20H18Cl2N4O2/c1-12(2)24-19(27)13-6-5-8-15(22)18(13)25-20(28)17-10-11-23-26(17)16-9-4-3-7-14(16)21/h3-12H,1-2H3,(H,24,27)(H,25,28)
InChIKeyAIGLHHGJQBBLSP-UHFFFAOYSA-N
XLogP4.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methyl-N-propan-2-ylpyrazole-3-carboxamide
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2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
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2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 154494235) is 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide is CC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1ccnn1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is AIGLHHGJQBBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-12(2)24-19(27)13-6-5-8-15(22)18(13)25-20(28)17-10-11-23-26(17)16-9-4-3-7-14(16)21/h3-12H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide?
2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-chloro-6-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 154494235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).