2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

C14H15ClN2O3 — CID 14801717

IUPAC2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCc1ccn(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C14H15ClN2O3/c1-14(2,13(18)19)20-9-11-7-8-17(16-11)12-5-3-10(15)4-6-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXFTUPEBOUYXRBZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.91
Rot. Bonds5

About 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid

2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 14801717) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID14801717
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCc1ccn(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C14H15ClN2O3/c1-14(2,13(18)19)20-9-11-7-8-17(16-11)12-5-3-10(15)4-6-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyXFTUPEBOUYXRBZ-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 14801717) is 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is CC(C)(OCc1ccn(-c2ccc(Cl)cc2)n1)C(=O)O.
What is the InChIKey of 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is XFTUPEBOUYXRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-14(2,13(18)19)20-9-11-7-8-17(16-11)12-5-3-10(15)4-6-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 294.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 14801717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).