3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide

C14H16N4O2 — CID 5027182

IUPAC3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide
SMILESCCCNC(=O)n1ccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H16N4O2/c1-2-9-15-14(20)18-10-8-12(17-18)13(19)16-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,15,20)(H,16,19)
InChIKeyISQKIBNCTXDTKQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.10
Rot. Bonds4

About 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide

3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide (PubChem CID 5027182) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide
PubChem CID5027182
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide
SMILESCCCNC(=O)n1ccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H16N4O2/c1-2-9-15-14(20)18-10-8-12(17-18)13(19)16-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,15,20)(H,16,19)
InChIKeyISQKIBNCTXDTKQ-UHFFFAOYSA-N
XLogP2.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide?
The IUPAC name of 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide (CID 5027182) is 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide.
What is the SMILES notation for 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide?
The canonical SMILES for 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide is CCCNC(=O)n1ccc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide?
The InChIKey is ISQKIBNCTXDTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-9-15-14(20)18-10-8-12(17-18)13(19)16-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide?
3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide has a molecular weight of 272.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-1-N-propylpyrazole-1,3-dicarboxamide is sourced from PubChem (CID 5027182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).