2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid

C15H18N2O3 — CID 82489022

IUPAC2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
SMILESCOc1ccc(C(C)C)cc1-c1cc(CC(=O)O)[nH]n1
InChIInChI=1S/C15H18N2O3/c1-9(2)10-4-5-14(20-3)12(6-10)13-7-11(16-17-13)8-15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUEUBTVURVCDFHI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.84
Rot. Bonds5

About 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid

2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid (PubChem CID 82489022) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
PubChem CID82489022
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
SMILESCOc1ccc(C(C)C)cc1-c1cc(CC(=O)O)[nH]n1
InChIInChI=1S/C15H18N2O3/c1-9(2)10-4-5-14(20-3)12(6-10)13-7-11(16-17-13)8-15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyUEUBTVURVCDFHI-UHFFFAOYSA-N
XLogP2.84
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic 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

3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
CID 98019064
3-[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]propanoic acid
CID 82121422
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
CID 82302135
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butanoic acid
CID 115218601
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123388941
N-(3,4-dimethylphenyl)-6-(2-methoxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
CID 58639352
(2S)-2-[4-(2-methoxy-5-propan-2-ylphenyl)triazol-1-yl]-3-methylbutanamide
CID 72915347

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid (CID 82489022) is 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid is COc1ccc(C(C)C)cc1-c1cc(CC(=O)O)[nH]n1.
What is the InChIKey of 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid?
The InChIKey is UEUBTVURVCDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)10-4-5-14(20-3)12(6-10)13-7-11(16-17-13)8-15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid?
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 82489022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).