4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide

C10H16N4O2 — CID 154882458

IUPAC4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide
SMILESCNC(=O)c1cnn(C(C)C)c1C(=O)NC
InChIInChI=1S/C10H16N4O2/c1-6(2)14-8(10(16)12-4)7(5-13-14)9(15)11-3/h5-6H,1-4H3,(H,11,15)(H,12,16)
InChIKeyCGTUCOYZECQAFK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.18
Rot. Bonds3

About 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide

4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide (PubChem CID 154882458) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide
PubChem CID154882458
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide
SMILESCNC(=O)c1cnn(C(C)C)c1C(=O)NC
InChIInChI=1S/C10H16N4O2/c1-6(2)14-8(10(16)12-4)7(5-13-14)9(15)11-3/h5-6H,1-4H3,(H,11,15)(H,12,16)
InChIKeyCGTUCOYZECQAFK-UHFFFAOYSA-N
XLogP0.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide (CID 154882458) is 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide is CNC(=O)c1cnn(C(C)C)c1C(=O)NC.
What is the InChIKey of 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide?
The InChIKey is CGTUCOYZECQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)14-8(10(16)12-4)7(5-13-14)9(15)11-3/h5-6H,1-4H3,(H,11,15)(H,12,16).
What are the key properties of 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide?
4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-dimethyl-1-propan-2-ylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 154882458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).