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

C11H9FN2O2 — CID 91700551

IUPACmethyl 1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)10-6-7-14(13-10)9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyAUIVZYQFCNGGTQ-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.80
Rot. Bonds2

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

methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 91700551) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)pyrazole-3-carboxylate
PubChem CID91700551
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Namemethyl 1-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)10-6-7-14(13-10)9-4-2-8(12)3-5-9/h2-7H,1H3
InChIKeyAUIVZYQFCNGGTQ-UHFFFAOYSA-N
XLogP1.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.80
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)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate (CID 91700551) is methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate is COC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is AUIVZYQFCNGGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-11(15)10-6-7-14(13-10)9-4-2-8(12)3-5-9/h2-7H,1H3.
What are the key properties of methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate?
methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 220.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 91700551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).