3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid

C17H20N2O2 — CID 117457932

IUPAC3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-n2nccc2C2CC2)c1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-17(2,16(20)21)11-12-4-3-5-14(10-12)19-15(8-9-18-19)13-6-7-13/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,20,21)
InChIKeyUTJPICFZSCWDOT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds5

About 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid

3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 117457932) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID117457932
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(-n2nccc2C2CC2)c1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-17(2,16(20)21)11-12-4-3-5-14(10-12)19-15(8-9-18-19)13-6-7-13/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,20,21)
InChIKeyUTJPICFZSCWDOT-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
CID 117353584
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 84691343
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate
CID 117461833
5-cyclopropyl-1-phenylpyrazole
CID 67206706
2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117442861
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
CID 117358013
3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-3-methylbutanoic acid
CID 117457936
(2R)-1-[4-[2-(3-chlorophenyl)pyrazol-3-yl]piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 118182694
tert-butyl 4-(2-phenylpyrazol-3-yl)piperidine-1-carboxylate
CID 122643880
2,2-dimethyl-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117446763
[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117477778

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid (CID 117457932) is 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1cccc(-n2nccc2C2CC2)c1)C(=O)O.
What is the InChIKey of 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is UTJPICFZSCWDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,16(20)21)11-12-4-3-5-14(10-12)19-15(8-9-18-19)13-6-7-13/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,20,21).
What are the key properties of 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid?
3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117457932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).