4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid

C14H15FN2O2 — CID 114020659

IUPAC4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid
SMILESCCCc1nn(C)cc1-c1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-3-4-13-11(8-17(2)16-13)10-7-9(14(18)19)5-6-12(10)15/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyCCNNVUUAGCQNMT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.88
Rot. Bonds4

About 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid

4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid (PubChem CID 114020659) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid
PubChem CID114020659
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid
SMILESCCCc1nn(C)cc1-c1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-3-4-13-11(8-17(2)16-13)10-7-9(14(18)19)5-6-12(10)15/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyCCNNVUUAGCQNMT-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid?
The IUPAC name of 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid (CID 114020659) is 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid is CCCc1nn(C)cc1-c1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid?
The InChIKey is CCNNVUUAGCQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-4-13-11(8-17(2)16-13)10-7-9(14(18)19)5-6-12(10)15/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid?
4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid has a molecular weight of 262.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 114020659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).