(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C16H16N4O3 — CID 94066190

IUPAC(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)NCc2ccoc2)=NN1c1ccccc1
InChIInChI=1S/C16H16N4O3/c17-15(21)14-8-13(16(22)18-9-11-6-7-23-10-11)19-20(14)12-4-2-1-3-5-12/h1-7,10,14H,8-9H2,(H2,17,21)(H,18,22)/t14-/m1/s1
InChIKeyDXUVPJIWOCJRDL-CQSZACIVSA-N
MW312.33 g/mol
LogP1.02
Rot. Bonds5

About (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 94066190) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID94066190
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)NCc2ccoc2)=NN1c1ccccc1
InChIInChI=1S/C16H16N4O3/c17-15(21)14-8-13(16(22)18-9-11-6-7-23-10-11)19-20(14)12-4-2-1-3-5-12/h1-7,10,14H,8-9H2,(H2,17,21)(H,18,22)/t14-/m1/s1
InChIKeyDXUVPJIWOCJRDL-CQSZACIVSA-N
XLogP1.02
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 94066190) is (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)[C@H]1CC(C(=O)NCc2ccoc2)=NN1c1ccccc1.
What is the InChIKey of (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is DXUVPJIWOCJRDL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N4O3/c17-15(21)14-8-13(16(22)18-9-11-6-7-23-10-11)19-20(14)12-4-2-1-3-5-12/h1-7,10,14H,8-9H2,(H2,17,21)(H,18,22)/t14-/m1/s1.
What are the key properties of (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 94066190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).