2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid

C15H18N2O3 — CID 137425491

IUPAC2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid
SMILESCC(C)(Cn1nccc1C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-15(2,20-10-12-6-4-3-5-7-12)11-17-13(14(18)19)8-9-16-17/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyBSYDAKOKOJXNHP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid

2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid (PubChem CID 137425491) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid
PubChem CID137425491
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid
SMILESCC(C)(Cn1nccc1C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-15(2,20-10-12-6-4-3-5-7-12)11-17-13(14(18)19)8-9-16-17/h3-9H,10-11H2,1-2H3,(H,18,19)
InChIKeyBSYDAKOKOJXNHP-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid
CID 175703524
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
2-(3-phenylpropyl)pyrazole-3-carboxylic acid
CID 60780145
2-[2-(dibenzylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485670
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
1-[2-(2,2-dimethylpropyl)pyrazol-3-yl]ethanone
CID 84657554
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid (CID 137425491) is 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid is CC(C)(Cn1nccc1C(=O)O)OCc1ccccc1.
What is the InChIKey of 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid?
The InChIKey is BSYDAKOKOJXNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,20-10-12-6-4-3-5-7-12)11-17-13(14(18)19)8-9-16-17/h3-9H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid?
2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-phenylmethoxypropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 137425491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).