5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid

C14H15FN2O3 — CID 117217993

IUPAC5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1COc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3/c1-9(2)17-13(12(7-16-17)14(18)19)8-20-11-5-3-10(15)4-6-11/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyPAFCDTSMZOFAIC-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.88
Rot. Bonds5

About 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid

5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 117217993) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID117217993
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1COc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O3/c1-9(2)17-13(12(7-16-17)14(18)19)8-20-11-5-3-10(15)4-6-11/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyPAFCDTSMZOFAIC-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid 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

5-[(2-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117217943
5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117218029
2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 82168297
5-[(4-acetyl-3-fluorophenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107714417
1-methyl-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyrazole-4-carboxylic acid
CID 116629505
5-[(4-fluorophenoxy)methyl]-1,2-oxazole-4-carboxylic acid
CID 117217458
1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
CID 117217975
1-ethyl-5-(4-fluorophenoxy)carbonylpyrazole-4-carboxylic acid
CID 117219162
5-[(4-chlorophenoxy)methyl]-1-propan-2-yltriazole-4-carboxylic acid
CID 82206761
5-[(3-fluoro-4-nitrophenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116629736
4-[(4-fluorophenoxy)methyl]-2-methylbenzoic acid
CID 117220532
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 46685975

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid (CID 117217993) is 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid is CC(C)n1ncc(C(=O)O)c1COc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is PAFCDTSMZOFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-9(2)17-13(12(7-16-17)14(18)19)8-20-11-5-3-10(15)4-6-11/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid?
5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 278.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 117217993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).