methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate

C18H15FN2O2 — CID 50901872

IUPACmethyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H15FN2O2/c1-12-16(18(22)23-2)17(13-6-4-3-5-7-13)20-21(12)15-10-8-14(19)9-11-15/h3-11H,1-2H3
InChIKeyDFZPPFLXJGSZRX-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.77
Rot. Bonds3

About methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate

methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate (PubChem CID 50901872) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
PubChem CID50901872
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Namemethyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H15FN2O2/c1-12-16(18(22)23-2)17(13-6-4-3-5-7-13)20-21(12)15-10-8-14(19)9-11-15/h3-11H,1-2H3
InChIKeyDFZPPFLXJGSZRX-UHFFFAOYSA-N
XLogP3.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-cyanophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
CID 135064086
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3672642
1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
CID 72545568
[(1S)-2-[(4-fluorophenyl)methyl]-3-oxo-1H-isoindol-1-yl] 5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 41065742
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 112773059
dimethyl 3-[3-[(4-fluorophenoxy)methyl]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387925
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate (CID 50901872) is methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate?
The InChIKey is DFZPPFLXJGSZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-16(18(22)23-2)17(13-6-4-3-5-7-13)20-21(12)15-10-8-14(19)9-11-15/h3-11H,1-2H3.
What are the key properties of methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate?
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 50901872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).