methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate

C14H15FN2O2 — CID 103186431

IUPACmethyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate
SMILESCCCn1nccc1-c1cc(F)cc(C(=O)OC)c1
InChIInChI=1S/C14H15FN2O2/c1-3-6-17-13(4-5-16-17)10-7-11(14(18)19-2)9-12(15)8-10/h4-5,7-9H,3,6H2,1-2H3
InChIKeySALXZPHQEBOPHS-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.89
Rot. Bonds4

About methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate

methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate (PubChem CID 103186431) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate
PubChem CID103186431
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namemethyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate
SMILESCCCn1nccc1-c1cc(F)cc(C(=O)OC)c1
InChIInChI=1S/C14H15FN2O2/c1-3-6-17-13(4-5-16-17)10-7-11(14(18)19-2)9-12(15)8-10/h4-5,7-9H,3,6H2,1-2H3
InChIKeySALXZPHQEBOPHS-UHFFFAOYSA-N
XLogP2.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
CID 164526814
ethane;methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
CID 164526813
methyl 3-fluoro-5-(3-methyltriazol-4-yl)benzoate
CID 103186582
methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate
CID 164527005
methyl 3-(5-ethyl-3-methylimidazol-4-yl)-5-fluorobenzoate
CID 164527687
methyl 3,5-difluorobenzoate
CID 2775360
2-fluoro-6-(2-propylpyrazol-3-yl)benzoic acid
CID 114560318
methyl 3-fluoro-5-(5-propyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzoate
CID 106522919
methyl 3-(6-chloro-3-pyridinyl)-5-fluorobenzoate
CID 142582222
5-(2-benzylpyrazol-3-yl)pyridine-3-carboxylic acid;methyl 5-(2-benzylpyrazol-3-yl)pyridine-3-carboxylate
CID 167703568
methyl 3-fluoro-5-(6-oxo-5-propyl-1H-pyrimidin-4-yl)benzoate
CID 136770487
5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid
CID 63975860

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate?
The IUPAC name of methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate (CID 103186431) is methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate.
What is the SMILES notation for methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate?
The canonical SMILES for methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate is CCCn1nccc1-c1cc(F)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate?
The InChIKey is SALXZPHQEBOPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-6-17-13(4-5-16-17)10-7-11(14(18)19-2)9-12(15)8-10/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate?
methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate has a molecular weight of 262.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate is sourced from PubChem (CID 103186431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).