ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate

C19H17F3N2O2 — CID 135010662

IUPACethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)=NN(c2ccccc2)C1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2/c1-2-26-18(25)15-16(13-9-5-3-6-10-13)23-24(17(15)19(20,21)22)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3
InChIKeyKIAIHHQKUWRYDV-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.02
Rot. Bonds4

About ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate

ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate (PubChem CID 135010662) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate
PubChem CID135010662
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Nameethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)=NN(c2ccccc2)C1C(F)(F)F
InChIInChI=1S/C19H17F3N2O2/c1-2-26-18(25)15-16(13-9-5-3-6-10-13)23-24(17(15)19(20,21)22)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3
InChIKeyKIAIHHQKUWRYDV-UHFFFAOYSA-N
XLogP4.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate?
The IUPAC name of ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate (CID 135010662) is ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate is CCOC(=O)C1C(c2ccccc2)=NN(c2ccccc2)C1C(F)(F)F.
What is the InChIKey of ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate?
The InChIKey is KIAIHHQKUWRYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-2-26-18(25)15-16(13-9-5-3-6-10-13)23-24(17(15)19(20,21)22)14-11-7-4-8-12-14/h3-12,15,17H,2H2,1H3.
What are the key properties of ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate?
ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate has a molecular weight of 362.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-diphenyl-3-(trifluoromethyl)-3,4-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 135010662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).