3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid

C14H15ClN2O3 — CID 115069297

IUPAC3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid
SMILESCOc1c(CCC(=O)O)cnn1Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-20-14-10(6-7-13(18)19)8-16-17(14)9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyIHDZSXBDUPLMAA-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.61
Rot. Bonds6

About 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid

3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid (PubChem CID 115069297) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid
PubChem CID115069297
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid
SMILESCOc1c(CCC(=O)O)cnn1Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-20-14-10(6-7-13(18)19)8-16-17(14)9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyIHDZSXBDUPLMAA-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic 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

[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine
CID 115069265
3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid
CID 115069185
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
3-(1-benzyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069221
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]-5-ethylpyrazole
CID 66438839
1-[(2-chlorophenyl)methyl]-5-methoxy-N-propan-2-yltriazole-4-carboxamide
CID 91938638
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
3-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 115038025
2-[(2-chlorophenyl)methyl]-5-phenylpyridazin-3-one
CID 166336869
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl] hydrogen carbonate
CID 70516745

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid (CID 115069297) is 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid is COc1c(CCC(=O)O)cnn1Cc1ccccc1Cl.
What is the InChIKey of 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid?
The InChIKey is IHDZSXBDUPLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-20-14-10(6-7-13(18)19)8-16-17(14)9-11-4-2-3-5-12(11)15/h2-5,8H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid?
3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid has a molecular weight of 294.74 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid is sourced from PubChem (CID 115069297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).