3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

C25H23N5O5 — CID 42762020

IUPAC3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccn3)n(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1
InChIInChI=1S/C25H23N5O5/c1-34-20-10-11-21(24(15-20)35-2)22-16-23(25(31)27-14-12-17-5-3-4-13-26-17)29(28-22)18-6-8-19(9-7-18)30(32)33/h3-11,13,15-16H,12,14H2,1-2H3,(H,27,31)
InChIKeyXPUMDOIWBLPZBM-UHFFFAOYSA-N
MW473.49 g/mol
LogP3.83
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (PubChem CID 42762020) has the molecular formula C25H23N5O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
PubChem CID42762020
Molecular FormulaC25H23N5O5
Molecular Weight473.49 g/mol
Exact Mass473.17
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccn3)n(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1
InChIInChI=1S/C25H23N5O5/c1-34-20-10-11-21(24(15-20)35-2)22-16-23(25(31)27-14-12-17-5-3-4-13-26-17)29(28-22)18-6-8-19(9-7-18)30(32)33/h3-11,13,15-16H,12,14H2,1-2H3,(H,27,31)
InChIKeyXPUMDOIWBLPZBM-UHFFFAOYSA-N
XLogP3.83
TPSA121.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 4637468
N-benzyl-3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3332427
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3925006
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3586442
3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 5041268
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 5254174

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (CID 42762020) is 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccn3)n(-c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The InChIKey is XPUMDOIWBLPZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5/c1-34-20-10-11-21(24(15-20)35-2)22-16-23(25(31)27-14-12-17-5-3-4-13-26-17)29(28-22)18-6-8-19(9-7-18)30(32)33/h3-11,13,15-16H,12,14H2,1-2H3,(H,27,31).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42762020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).