ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate

C19H20N2O2 — CID 14932646

IUPACethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-2-23-19(22)17-13-18(16-11-7-4-8-12-16)21(20-17)14-15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3
InChIKeyJWFWFIHGOGGCFG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.55
Rot. Bonds5

About ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate

ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 14932646) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID14932646
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCCOC(=O)C1=NN(Cc2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2/c1-2-23-19(22)17-13-18(16-11-7-4-8-12-16)21(20-17)14-15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3
InChIKeyJWFWFIHGOGGCFG-UHFFFAOYSA-N
XLogP3.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 14932646) is ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate is CCOC(=O)C1=NN(Cc2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is JWFWFIHGOGGCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-19(22)17-13-18(16-11-7-4-8-12-16)21(20-17)14-15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3.
What are the key properties of ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate?
ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 14932646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).