5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide

C9H10N6O2 — CID 166349837

IUPAC5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide
SMILESCN(C(=O)c1cc(C(N)=O)n[nH]1)c1cn[nH]c1
InChIInChI=1S/C9H10N6O2/c1-15(5-3-11-12-4-5)9(17)7-2-6(8(10)16)13-14-7/h2-4H,1H3,(H2,10,16)(H,11,12)(H,13,14)
InChIKeyYDFNEQFEDMMLRV-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.49
Rot. Bonds3

About 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide

5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide (PubChem CID 166349837) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide
PubChem CID166349837
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide
SMILESCN(C(=O)c1cc(C(N)=O)n[nH]1)c1cn[nH]c1
InChIInChI=1S/C9H10N6O2/c1-15(5-3-11-12-4-5)9(17)7-2-6(8(10)16)13-14-7/h2-4H,1H3,(H2,10,16)(H,11,12)(H,13,14)
InChIKeyYDFNEQFEDMMLRV-UHFFFAOYSA-N
XLogP-0.49
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide (CID 166349837) is 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide is CN(C(=O)c1cc(C(N)=O)n[nH]1)c1cn[nH]c1.
What is the InChIKey of 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide?
The InChIKey is YDFNEQFEDMMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-15(5-3-11-12-4-5)9(17)7-2-6(8(10)16)13-14-7/h2-4H,1H3,(H2,10,16)(H,11,12)(H,13,14).
What are the key properties of 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide?
5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide has a molecular weight of 234.22 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 166349837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).