methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate

C14H13FN2O2 — CID 91700519

IUPACmethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)12-8-13(9-2-3-9)17(16-12)11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3
InChIKeyFJPDTRYFBWLJLI-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.68
Rot. Bonds3

About methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate

methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 91700519) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate
PubChem CID91700519
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O2/c1-19-14(18)12-8-13(9-2-3-9)17(16-12)11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3
InChIKeyFJPDTRYFBWLJLI-UHFFFAOYSA-N
XLogP2.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate (CID 91700519) is methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate is COC(=O)c1cc(C2CC2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is FJPDTRYFBWLJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-14(18)12-8-13(9-2-3-9)17(16-12)11-6-4-10(15)5-7-11/h4-9H,2-3H2,1H3.
What are the key properties of methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate?
methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 260.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 91700519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).