3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide

C16H20N8O2 — CID 29097892

IUPAC3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
SMILESCc1cc(NC(=O)c2cn(C)nc2C(=O)Nc2cc(C)nn2C)n(C)n1
InChIInChI=1S/C16H20N8O2/c1-9-6-12(23(4)19-9)17-15(25)11-8-22(3)21-14(11)16(26)18-13-7-10(2)20-24(13)5/h6-8H,1-5H3,(H,17,25)(H,18,26)
InChIKeyDPMVQUXEYFWNER-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.01
Rot. Bonds4

About 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide

3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide (PubChem CID 29097892) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
PubChem CID29097892
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
SMILESCc1cc(NC(=O)c2cn(C)nc2C(=O)Nc2cc(C)nn2C)n(C)n1
InChIInChI=1S/C16H20N8O2/c1-9-6-12(23(4)19-9)17-15(25)11-8-22(3)21-14(11)16(26)18-13-7-10(2)20-24(13)5/h6-8H,1-5H3,(H,17,25)(H,18,26)
InChIKeyDPMVQUXEYFWNER-UHFFFAOYSA-N
XLogP1.01
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
5-amino-2-(dimethylamino)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 61090056
5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103295770
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-2-(methylamino)benzamide
CID 55083084

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
The IUPAC name of 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide (CID 29097892) is 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide.
What is the SMILES notation for 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
The canonical SMILES for 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide is Cc1cc(NC(=O)c2cn(C)nc2C(=O)Nc2cc(C)nn2C)n(C)n1.
What is the InChIKey of 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
The InChIKey is DPMVQUXEYFWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-9-6-12(23(4)19-9)17-15(25)11-8-22(3)21-14(11)16(26)18-13-7-10(2)20-24(13)5/h6-8H,1-5H3,(H,17,25)(H,18,26).
What are the key properties of 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide has a molecular weight of 356.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).