1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide

C22H24ClN3O3 — CID 55595610

IUPAC1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)c(OC)c1
InChIInChI=1S/C22H24ClN3O3/c1-14-21(15(2)26(25-14)13-17-7-5-6-8-19(17)23)22(27)24-12-16-9-10-18(28-3)11-20(16)29-4/h5-11H,12-13H2,1-4H3,(H,24,27)
InChIKeyOVQILRDYWAYJNY-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.15
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 55595610) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID55595610
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)c(OC)c1
InChIInChI=1S/C22H24ClN3O3/c1-14-21(15(2)26(25-14)13-17-7-5-6-8-19(17)23)22(27)24-12-16-9-10-18(28-3)11-20(16)29-4/h5-11H,12-13H2,1-4H3,(H,24,27)
InChIKeyOVQILRDYWAYJNY-UHFFFAOYSA-N
XLogP4.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26446623
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119176931
N-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119382459
1-[(2-chlorophenyl)methyl]-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798305
methyl (E)-4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]but-2-enoate
CID 146099624
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 33203749
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
1-[(2-chlorophenyl)methyl]-N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 35095980
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 35988139
1-[(2-chlorophenyl)methyl]-N-(2-methoxydibenzofuran-3-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 4789908

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide (CID 55595610) is 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide is COc1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)c(OC)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OVQILRDYWAYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-14-21(15(2)26(25-14)13-17-7-5-6-8-19(17)23)22(27)24-12-16-9-10-18(28-3)11-20(16)29-4/h5-11H,12-13H2,1-4H3,(H,24,27).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55595610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).