N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide

C11H9Cl2N3O — CID 840311

IUPACN-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-16-10(4-5-14-16)11(17)15-9-6-7(12)2-3-8(9)13/h2-6H,1H3,(H,15,17)
InChIKeyKRFUZPKKXWHHKN-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.98
Rot. Bonds2

About N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide

N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 840311) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID840311
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC NameN-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-16-10(4-5-14-16)11(17)15-9-6-7(12)2-3-8(9)13/h2-6H,1H3,(H,15,17)
InChIKeyKRFUZPKKXWHHKN-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide (CID 840311) is N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is KRFUZPKKXWHHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-16-10(4-5-14-16)11(17)15-9-6-7(12)2-3-8(9)13/h2-6H,1H3,(H,15,17).
What are the key properties of N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide?
N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 270.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 840311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).