N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide

C11H9Cl2N3O — CID 1225407

IUPACN-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C11H9Cl2N3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-9(12)10(13)4-8/h2-6H,1H3,(H,15,17)
InChIKeyWFBLDQJEWDEFMW-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.98
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide

N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 1225407) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID1225407
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC NameN-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C11H9Cl2N3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-9(12)10(13)4-8/h2-6H,1H3,(H,15,17)
InChIKeyWFBLDQJEWDEFMW-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-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide (CID 1225407) is N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is WFBLDQJEWDEFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-9(12)10(13)4-8/h2-6H,1H3,(H,15,17).
What are the key properties of N-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
N-(3,4-dichlorophenyl)-1-methylpyrazole-4-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-(3,4-dichlorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 1225407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).