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

C12H11Cl2N3O — CID 45285316

IUPACN-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-9(6-17(2)16-7)12(18)15-11-4-3-8(13)5-10(11)14/h3-6H,1-2H3,(H,15,18)
InChIKeyZTSSKEROGIEVPT-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 45285316) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID45285316
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-9(6-17(2)16-7)12(18)15-11-4-3-8(13)5-10(11)14/h3-6H,1-2H3,(H,15,18)
InChIKeyZTSSKEROGIEVPT-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

N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 45285316) is N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ZTSSKEROGIEVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-9(6-17(2)16-7)12(18)15-11-4-3-8(13)5-10(11)14/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2,4-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-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45285316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).