N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide

C13H14ClN3O — CID 110695870

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnn(C)c2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-8-4-9(2)12(11(14)5-8)16-13(18)10-6-15-17(3)7-10/h4-7H,1-3H3,(H,16,18)
InChIKeyBNYZSRBRGRSUSE-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.94
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 110695870) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID110695870
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnn(C)c2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-8-4-9(2)12(11(14)5-8)16-13(18)10-6-15-17(3)7-10/h4-7H,1-3H3,(H,16,18)
InChIKeyBNYZSRBRGRSUSE-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82885113
5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 109107702
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550037
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110299434
2-(1,3-benzodioxol-5-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109269272
4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide
CID 43548466
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
N-(2-chloro-4,6-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152555

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide (CID 110695870) is N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2cnn(C)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BNYZSRBRGRSUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-4-9(2)12(11(14)5-8)16-13(18)10-6-15-17(3)7-10/h4-7H,1-3H3,(H,16,18).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110695870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).