N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H11Cl2N3O — CID 43582492

IUPACN-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-6-11(7(2)17-16-6)12(18)15-10-4-8(13)3-9(14)5-10/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyQPTSVKWGHWDWLE-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.59
Rot. Bonds2

About N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582492) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582492
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c1-6-11(7(2)17-16-6)12(18)15-10-4-8(13)3-9(14)5-10/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyQPTSVKWGHWDWLE-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-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366853
N-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864249
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 43583203
N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274098
N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107335521

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582492) is N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is QPTSVKWGHWDWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-6-11(7(2)17-16-6)12(18)15-10-4-8(13)3-9(14)5-10/h3-5H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3,5-dichlorophenyl)-3,5-dimethyl-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-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).