5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C20H27N5O3 — CID 71850043

IUPAC5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC2CCN(C3CCOC3)CC2)=NN1c1ccccc1
InChIInChI=1S/C20H27N5O3/c21-19(26)18-12-17(23-25(18)15-4-2-1-3-5-15)20(27)22-14-6-9-24(10-7-14)16-8-11-28-13-16/h1-5,14,16,18H,6-13H2,(H2,21,26)(H,22,27)
InChIKeyBXQFXGRBQWEUEZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.48
Rot. Bonds5

About 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 71850043) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID71850043
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NC2CCN(C3CCOC3)CC2)=NN1c1ccccc1
InChIInChI=1S/C20H27N5O3/c21-19(26)18-12-17(23-25(18)15-4-2-1-3-5-15)20(27)22-14-6-9-24(10-7-14)16-8-11-28-13-16/h1-5,14,16,18H,6-13H2,(H2,21,26)(H,22,27)
InChIKeyBXQFXGRBQWEUEZ-UHFFFAOYSA-N
XLogP0.48
TPSA100.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 71850043) is 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NC2CCN(C3CCOC3)CC2)=NN1c1ccccc1.
What is the InChIKey of 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is BXQFXGRBQWEUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c21-19(26)18-12-17(23-25(18)15-4-2-1-3-5-15)20(27)22-14-6-9-24(10-7-14)16-8-11-28-13-16/h1-5,14,16,18H,6-13H2,(H2,21,26)(H,22,27).
What are the key properties of 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(oxolan-3-yl)piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 71850043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).