N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide

C11H11ClN4O — CID 55130611

IUPACN-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H11ClN4O/c1-16-9(5-6-14-16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,13H2,1H3,(H,15,17)
InChIKeySOZVJFFUEUMOKZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.91
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide

N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 55130611) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID55130611
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H11ClN4O/c1-16-9(5-6-14-16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,13H2,1H3,(H,15,17)
InChIKeySOZVJFFUEUMOKZ-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4620973
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4248327
N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55032492
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methylpyrazole-3-carboxamide
CID 114051088
1-(2,6-dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813825
N-(2-amino-6-chlorophenyl)-2-methylbenzamide
CID 62084781
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide (CID 55130611) is N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is SOZVJFFUEUMOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-9(5-6-14-16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide?
N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 55130611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).