3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C22H19Cl2N5O2 — CID 19510167

IUPAC3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(OCn2cc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cn2)c(C)c1
InChIInChI=1S/C22H19Cl2N5O2/c1-13-3-6-21(14(2)7-13)31-12-29-11-16(10-25-29)26-22(30)20-9-19(27-28-20)17-5-4-15(23)8-18(17)24/h3-11H,12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyWKOKDFYDZKSCAH-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.49
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19510167) has the molecular formula C22H19Cl2N5O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID19510167
Molecular FormulaC22H19Cl2N5O2
Molecular Weight456.33 g/mol
Exact Mass455.09
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(OCn2cc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cn2)c(C)c1
InChIInChI=1S/C22H19Cl2N5O2/c1-13-3-6-21(14(2)7-13)31-12-29-11-16(10-25-29)26-22(30)20-9-19(27-28-20)17-5-4-15(23)8-18(17)24/h3-11H,12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyWKOKDFYDZKSCAH-UHFFFAOYSA-N
XLogP5.49
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509948
N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19397544
3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19395675
1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323
3-(4-chloropyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19539672
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474706
3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide
CID 19510088
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19524745
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276061
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19417168
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480845
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 19510167) is 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide is Cc1ccc(OCn2cc(NC(=O)c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cn2)c(C)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is WKOKDFYDZKSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O2/c1-13-3-6-21(14(2)7-13)31-12-29-11-16(10-25-29)26-22(30)20-9-19(27-28-20)17-5-4-15(23)8-18(17)24/h3-11H,12H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).