ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate

C19H18N2O3 — CID 2884448

IUPACethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1NN=C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)17-15(13-9-5-3-6-10-13)16(20-21-17)18(22)14-11-7-4-8-12-14/h3-12,15,17,21H,2H2,1H3
InChIKeyOGJZLTVZFUIVRC-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.54
Rot. Bonds5

About ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate

ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate (PubChem CID 2884448) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate
PubChem CID2884448
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)C1NN=C(C(=O)c2ccccc2)C1c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)17-15(13-9-5-3-6-10-13)16(20-21-17)18(22)14-11-7-4-8-12-14/h3-12,15,17,21H,2H2,1H3
InChIKeyOGJZLTVZFUIVRC-UHFFFAOYSA-N
XLogP2.54
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate (CID 2884448) is ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate is CCOC(=O)C1NN=C(C(=O)c2ccccc2)C1c1ccccc1.
What is the InChIKey of ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate?
The InChIKey is OGJZLTVZFUIVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-19(23)17-15(13-9-5-3-6-10-13)16(20-21-17)18(22)14-11-7-4-8-12-14/h3-12,15,17,21H,2H2,1H3.
What are the key properties of ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate?
ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 2884448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).