N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C12H11Cl2N3O — CID 104727965

IUPACN-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2cn[nH]c2C)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-3-10(14)11(4-9(6)13)16-12(18)8-5-15-17-7(8)2/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyMAXPGIPZHAVUCU-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.59
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 104727965) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID104727965
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2cn[nH]c2C)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-6-3-10(14)11(4-9(6)13)16-12(18)8-5-15-17-7(8)2/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyMAXPGIPZHAVUCU-UHFFFAOYSA-N
XLogP3.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-carbamoyl-2-chlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63939091
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
5-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63998435
N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 104728161
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
CID 115760988
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 104727965) is N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1cc(Cl)c(NC(=O)c2cn[nH]c2C)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is MAXPGIPZHAVUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-6-3-10(14)11(4-9(6)13)16-12(18)8-5-15-17-7(8)2/h3-5H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 104727965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).