5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide

C10H16N4O2 — CID 173256492

IUPAC5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide
SMILESCCCN(C)C(=O)c1cc(C(N)=O)nn1C
InChIInChI=1S/C10H16N4O2/c1-4-5-13(2)10(16)8-6-7(9(11)15)12-14(8)3/h6H,4-5H2,1-3H3,(H2,11,15)
InChIKeyZDJBNUZLHAOWLH-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.00
Rot. Bonds4

About 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide

5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide (PubChem CID 173256492) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide
PubChem CID173256492
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide
SMILESCCCN(C)C(=O)c1cc(C(N)=O)nn1C
InChIInChI=1S/C10H16N4O2/c1-4-5-13(2)10(16)8-6-7(9(11)15)12-14(8)3/h6H,4-5H2,1-3H3,(H2,11,15)
InChIKeyZDJBNUZLHAOWLH-UHFFFAOYSA-N
XLogP0.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide (CID 173256492) is 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide is CCCN(C)C(=O)c1cc(C(N)=O)nn1C.
What is the InChIKey of 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide?
The InChIKey is ZDJBNUZLHAOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-5-13(2)10(16)8-6-7(9(11)15)12-14(8)3/h6H,4-5H2,1-3H3,(H2,11,15).
What are the key properties of 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide?
5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-propylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 173256492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).