N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

C20H19Cl2N3O2 — CID 19275845

IUPACN-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(OCn2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-13(2)14-3-6-16(7-4-14)27-12-25-10-9-19(24-25)20(26)23-15-5-8-17(21)18(22)11-15/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyILNXYELYHGOXGO-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.60
Rot. Bonds6

About N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19275845) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19275845
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC NameN-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCC(C)c1ccc(OCn2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-13(2)14-3-6-16(7-4-14)27-12-25-10-9-19(24-25)20(26)23-15-5-8-17(21)18(22)11-15/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyILNXYELYHGOXGO-UHFFFAOYSA-N
XLogP5.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19275813
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276035
1-[(4-propan-2-ylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19275815
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922
N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776387
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276061
N-(2-cyanophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275980
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835
N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275986
1-[(4-propan-2-ylphenoxy)methyl]-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275945

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide (CID 19275845) is N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide is CC(C)c1ccc(OCn2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is ILNXYELYHGOXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-13(2)14-3-6-16(7-4-14)27-12-25-10-9-19(24-25)20(26)23-15-5-8-17(21)18(22)11-15/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?
N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).