1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide

C20H19Cl2N3O2 — CID 19275232

IUPAC1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)Nc3cccc(Cl)c3C)n2)cc(C)c1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-12-9-15(10-13(2)19(12)22)27-11-25-8-7-18(24-25)20(26)23-17-6-4-5-16(21)14(17)3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyWWEPCXXQYZUBBI-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.40
Rot. Bonds5

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 19275232) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
PubChem CID19275232
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)Nc3cccc(Cl)c3C)n2)cc(C)c1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-12-9-15(10-13(2)19(12)22)27-11-25-8-7-18(24-25)20(26)23-17-6-4-5-16(21)14(17)3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyWWEPCXXQYZUBBI-UHFFFAOYSA-N
XLogP5.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19274648
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19275429
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 4862750
1-[(3,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19276149
N-(2,3-dimethylphenyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265372
[1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472896
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275344
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275470
N-(5-chloro-2-methylphenyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269515

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide (CID 19275232) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)Nc3cccc(Cl)c3C)n2)cc(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is WWEPCXXQYZUBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-12-9-15(10-13(2)19(12)22)27-11-25-8-7-18(24-25)20(26)23-17-6-4-5-16(21)14(17)3/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19275232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).