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

C12H11Cl2N3O — CID 16953134

IUPACN-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)n(C)n1
InChIInChI=1S/C12H11Cl2N3O/c1-7-3-11(17(2)16-7)12(18)15-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H,15,18)
InChIKeyBWGLBKRGZNQJPM-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 16953134) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID16953134
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)n(C)n1
InChIInChI=1S/C12H11Cl2N3O/c1-7-3-11(17(2)16-7)12(18)15-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H,15,18)
InChIKeyBWGLBKRGZNQJPM-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 16953134) is N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)n(C)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BWGLBKRGZNQJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-3-11(17(2)16-7)12(18)15-10-5-8(13)4-9(14)6-10/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16953134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).