methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate

C15H17FN2O2 — CID 164526814

IUPACmethyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
SMILESCCCn1ncc(C)c1-c1cc(F)cc(C(=O)OC)c1
InChIInChI=1S/C15H17FN2O2/c1-4-5-18-14(10(2)9-17-18)11-6-12(15(19)20-3)8-13(16)7-11/h6-9H,4-5H2,1-3H3
InChIKeyCIIQRLSAFNYUHX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.19
Rot. Bonds4

About methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate

methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate (PubChem CID 164526814) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
PubChem CID164526814
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Namemethyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
SMILESCCCn1ncc(C)c1-c1cc(F)cc(C(=O)OC)c1
InChIInChI=1S/C15H17FN2O2/c1-4-5-18-14(10(2)9-17-18)11-6-12(15(19)20-3)8-13(16)7-11/h6-9H,4-5H2,1-3H3
InChIKeyCIIQRLSAFNYUHX-UHFFFAOYSA-N
XLogP3.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate
CID 164526813
methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate
CID 103186431
methyl 3-(5-ethyl-3-methylimidazol-4-yl)-5-fluorobenzoate
CID 164527687
methyl 3-fluoro-5-(5-methyl-2-oxo-1H-pyrimidin-6-yl)benzoate
CID 106522923
methyl 3-fluoro-5-(3-methyltriazol-4-yl)benzoate
CID 103186582
(2R)-2-amino-3-[[3-[4-(difluoromethyl)-1-propylpyrazol-5-yl]-5-fluorobenzoyl]amino]propanoic acid
CID 164527065
methyl 3,5-difluorobenzoate
CID 2775360
methyl 3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoate
CID 164527005
3-[1-ethyl-4-(trifluoromethyl)pyrazol-5-yl]-5-fluorobenzoic acid
CID 164527031
methyl 3-(2,5-dimethylphenyl)-5-fluorobenzoate
CID 103186373
3-(4-chloro-1-ethylpyrazol-5-yl)-5-fluorobenzoic acid
CID 164526916
methyl 3-fluoro-5-(5-propyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzoate
CID 106522919

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate?
The IUPAC name of methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate (CID 164526814) is methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate.
What is the SMILES notation for methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate?
The canonical SMILES for methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate is CCCn1ncc(C)c1-c1cc(F)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate?
The InChIKey is CIIQRLSAFNYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-4-5-18-14(10(2)9-17-18)11-6-12(15(19)20-3)8-13(16)7-11/h6-9H,4-5H2,1-3H3.
What are the key properties of methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate?
methyl 3-fluoro-5-(4-methyl-1-propylpyrazol-5-yl)benzoate has a molecular weight of 276.31 g/mol, XLogP of 3.19, 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-(4-methyl-1-propylpyrazol-5-yl)benzoate is sourced from PubChem (CID 164526814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).