N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H13ClN4O — CID 113366853

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)n[nH]c2C)cnc1Cl
InChIInChI=1S/C12H13ClN4O/c1-6-4-9(5-14-11(6)13)15-12(18)10-7(2)16-17-8(10)3/h4-5H,1-3H3,(H,15,18)(H,16,17)
InChIKeyLLCGIHHRIRGVKD-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.64
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 113366853) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID113366853
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2c(C)n[nH]c2C)cnc1Cl
InChIInChI=1S/C12H13ClN4O/c1-6-4-9(5-14-11(6)13)15-12(18)10-7(2)16-17-8(10)3/h4-5H,1-3H3,(H,15,18)(H,16,17)
InChIKeyLLCGIHHRIRGVKD-UHFFFAOYSA-N
XLogP2.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(2,5-dimethylpyrazol-3-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582691
2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
CID 103730390

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 113366853) is N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1cc(NC(=O)c2c(C)n[nH]c2C)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is LLCGIHHRIRGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-6-4-9(5-14-11(6)13)15-12(18)10-7(2)16-17-8(10)3/h4-5H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113366853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).