N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide

C12H12ClN3O2 — CID 43532961

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H12ClN3O2/c1-7-3-10(11(18-2)4-9(7)13)16-12(17)8-5-14-15-6-8/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZNMXCCSZZYOZLT-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.63
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 43532961) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID43532961
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C12H12ClN3O2/c1-7-3-10(11(18-2)4-9(7)13)16-12(17)8-5-14-15-6-8/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZNMXCCSZZYOZLT-UHFFFAOYSA-N
XLogP2.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 104724206
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 62153569
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43337149
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide (CID 43532961) is N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZNMXCCSZZYOZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-3-10(11(18-2)4-9(7)13)16-12(17)8-5-14-15-6-8/h3-6H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43532961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).