1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide

C19H18ClN3O2 — CID 19265181

IUPAC1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccn(COc3ccccc3Cl)n2)c1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-8-14(2)17(11-13)21-19(24)16-9-10-23(22-16)12-25-18-6-4-3-5-15(18)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyIVPUFPJVYNPBDA-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.44
Rot. Bonds5

About 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide

1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide (PubChem CID 19265181) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
PubChem CID19265181
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccn(COc3ccccc3Cl)n2)c1
InChIInChI=1S/C19H18ClN3O2/c1-13-7-8-14(2)17(11-13)21-19(24)16-9-10-23(22-16)12-25-18-6-4-3-5-15(18)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyIVPUFPJVYNPBDA-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dichlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19269620
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
1-[(2,6-dimethoxyphenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19277139
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810
N-(5-chloro-2-methylphenyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269515
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
1-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19582689
1-[(2,4-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 4776514

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide (CID 19265181) is 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide is Cc1ccc(C)c(NC(=O)c2ccn(COc3ccccc3Cl)n2)c1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
The InChIKey is IVPUFPJVYNPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-7-8-14(2)17(11-13)21-19(24)16-9-10-23(22-16)12-25-18-6-4-3-5-15(18)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19265181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).