4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide

C22H24N4O4 — CID 29096938

IUPAC4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn(C)c1C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C22H24N4O4/c1-13-6-8-18(29-4)16(10-13)24-21(27)15-12-23-26(3)20(15)22(28)25-17-11-14(2)7-9-19(17)30-5/h6-12H,1-5H3,(H,24,27)(H,25,28)
InChIKeyOQERIWQJUIUALN-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.56
Rot. Bonds6

About 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide

4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide (PubChem CID 29096938) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
PubChem CID29096938
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnn(C)c1C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C22H24N4O4/c1-13-6-8-18(29-4)16(10-13)24-21(27)15-12-23-26(3)20(15)22(28)25-17-11-14(2)7-9-19(17)30-5/h6-12H,1-5H3,(H,24,27)(H,25,28)
InChIKeyOQERIWQJUIUALN-UHFFFAOYSA-N
XLogP3.56
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
4-hydrazinyl-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240121
3-bromo-N-(2-methoxy-5-methylphenyl)-1-methylindole-2-carboxamide
CID 55663937
N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801781
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476120

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide (CID 29096938) is 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide is COc1ccc(C)cc1NC(=O)c1cnn(C)c1C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
The InChIKey is OQERIWQJUIUALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-6-8-18(29-4)16(10-13)24-21(27)15-12-23-26(3)20(15)22(28)25-17-11-14(2)7-9-19(17)30-5/h6-12H,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide?
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 29096938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).