methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate

C23H19FN2O2 — CID 71233499

IUPACmethyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate
SMILESCOC(=O)C1C(c2ccc(F)cc2)=NN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-28-23(27)20-21(16-12-14-18(24)15-13-16)25-26(19-10-6-3-7-11-19)22(20)17-8-4-2-5-9-17/h2-15,20,22H,1H3
InChIKeyBFMQRXKVWNVIME-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.58
Rot. Bonds4

About methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate

methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate (PubChem CID 71233499) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate
PubChem CID71233499
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namemethyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate
SMILESCOC(=O)C1C(c2ccc(F)cc2)=NN(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-28-23(27)20-21(16-12-14-18(24)15-13-16)25-26(19-10-6-3-7-11-19)22(20)17-8-4-2-5-9-17/h2-15,20,22H,1H3
InChIKeyBFMQRXKVWNVIME-UHFFFAOYSA-N
XLogP4.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate (CID 71233499) is methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate is COC(=O)C1C(c2ccc(F)cc2)=NN(c2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate?
The InChIKey is BFMQRXKVWNVIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-28-23(27)20-21(16-12-14-18(24)15-13-16)25-26(19-10-6-3-7-11-19)22(20)17-8-4-2-5-9-17/h2-15,20,22H,1H3.
What are the key properties of methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate?
methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 71233499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).