methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate

C18H15FN2O2 — CID 135014650

IUPACmethyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(F)cc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C18H15FN2O2/c1-12-3-5-13(6-4-12)16-11-21(20-17(16)18(22)23-2)15-9-7-14(19)8-10-15/h3-11H,1-2H3
InChIKeyDEVFWWIWFNZWNI-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.77
Rot. Bonds3

About methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate

methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate (PubChem CID 135014650) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate
PubChem CID135014650
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Namemethyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(F)cc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C18H15FN2O2/c1-12-3-5-13(6-4-12)16-11-21(20-17(16)18(22)23-2)15-9-7-14(19)8-10-15/h3-11H,1-2H3
InChIKeyDEVFWWIWFNZWNI-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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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate (CID 135014650) is methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccc(F)cc2)cc1-c1ccc(C)cc1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate?
The InChIKey is DEVFWWIWFNZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-3-5-13(6-4-12)16-11-21(20-17(16)18(22)23-2)15-9-7-14(19)8-10-15/h3-11H,1-2H3.
What are the key properties of methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate?
methyl 1-(4-fluorophenyl)-4-(4-methylphenyl)pyrazole-3-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)-4-(4-methylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 135014650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).