3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide

C24H28N4O6 — CID 4862695

IUPAC3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1cc(CNC(=O)c2cc(C(=O)NCc3cc(OC)cc(OC)c3)n(C)n2)cc(OC)c1
InChIInChI=1S/C24H28N4O6/c1-28-22(24(30)26-14-16-8-19(33-4)11-20(9-16)34-5)12-21(27-28)23(29)25-13-15-6-17(31-2)10-18(7-15)32-3/h6-12H,13-14H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyWIFVKGTZTQGKMJ-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.31
Rot. Bonds10

About 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 4862695) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide
PubChem CID4862695
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1cc(CNC(=O)c2cc(C(=O)NCc3cc(OC)cc(OC)c3)n(C)n2)cc(OC)c1
InChIInChI=1S/C24H28N4O6/c1-28-22(24(30)26-14-16-8-19(33-4)11-20(9-16)34-5)12-21(27-28)23(29)25-13-15-6-17(31-2)10-18(7-15)32-3/h6-12H,13-14H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyWIFVKGTZTQGKMJ-UHFFFAOYSA-N
XLogP2.31
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide (CID 4862695) is 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide is COc1cc(CNC(=O)c2cc(C(=O)NCc3cc(OC)cc(OC)c3)n(C)n2)cc(OC)c1.
What is the InChIKey of 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is WIFVKGTZTQGKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-28-22(24(30)26-14-16-8-19(33-4)11-20(9-16)34-5)12-21(27-28)23(29)25-13-15-6-17(31-2)10-18(7-15)32-3/h6-12H,13-14H2,1-5H3,(H,25,29)(H,26,30).
What are the key properties of 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 468.51 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[(3,5-dimethoxyphenyl)methyl]-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 4862695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).