N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide

C12H11Cl2N3O — CID 19474782

IUPACN-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-8(6-17(2)16-7)12(18)15-11-9(13)4-3-5-10(11)14/h3-6H,1-2H3,(H,15,18)
InChIKeyXXRQIWBEQXBVTM-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

About N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19474782) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19474782
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-8(6-17(2)16-7)12(18)15-11-9(13)4-3-5-10(11)14/h3-6H,1-2H3,(H,15,18)
InChIKeyXXRQIWBEQXBVTM-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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Related Compounds

4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19395492
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511727
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
N-(2,3-dichloro-4-fluoro-6-phenylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 123339665
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 19474782) is N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is XXRQIWBEQXBVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-8(6-17(2)16-7)12(18)15-11-9(13)4-3-5-10(11)14/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-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-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).