2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid

C15H18N2O3 — CID 39818032

IUPAC2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)c(C(C)C)cc1-c1ccn[nH]1
InChIInChI=1S/C15H18N2O3/c1-9(2)11-7-12(13-4-5-16-17-13)10(3)6-14(11)20-8-15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBJECOUOCBQXFNO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.97
Rot. Bonds5

About 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid

2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid (PubChem CID 39818032) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid
PubChem CID39818032
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid
SMILESCc1cc(OCC(=O)O)c(C(C)C)cc1-c1ccn[nH]1
InChIInChI=1S/C15H18N2O3/c1-9(2)11-7-12(13-4-5-16-17-13)10(3)6-14(11)20-8-15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBJECOUOCBQXFNO-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027
2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
2-methoxy-N,4-dimethyl-5-(1H-pyrazol-5-yl)benzamide
CID 178150209
2-[4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 102534246
2-[4-(2-methyl-4-propoxyphenyl)-2-propan-2-ylphenoxy]acetic acid
CID 143190657
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
CID 101351133
2-(4-cyano-2-propan-2-ylphenoxy)acetic acid
CID 126600902
2-(2-methyl-5-propan-2-yl-4-sulfamoylphenoxy)acetic acid
CID 81005006
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
2-(5-chlorooxy-2-methylphenoxy)acetic acid
CID 159849914
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 3885478

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid (CID 39818032) is 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid is Cc1cc(OCC(=O)O)c(C(C)C)cc1-c1ccn[nH]1.
What is the InChIKey of 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid?
The InChIKey is BJECOUOCBQXFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(2)11-7-12(13-4-5-16-17-13)10(3)6-14(11)20-8-15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid?
2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-propan-2-yl-4-(1H-pyrazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 39818032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).