2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid

C16H18N2O2 — CID 83148012

IUPAC2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESCC(Cc1cnn(-c2ccccc2)c1)(C(=O)O)C1CC1
InChIInChI=1S/C16H18N2O2/c1-16(15(19)20,13-7-8-13)9-12-10-17-18(11-12)14-5-3-2-4-6-14/h2-6,10-11,13H,7-9H2,1H3,(H,19,20)
InChIKeyVHPNGFNZLHVSEF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds5

About 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid

2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid (PubChem CID 83148012) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid
PubChem CID83148012
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid
SMILESCC(Cc1cnn(-c2ccccc2)c1)(C(=O)O)C1CC1
InChIInChI=1S/C16H18N2O2/c1-16(15(19)20,13-7-8-13)9-12-10-17-18(11-12)14-5-3-2-4-6-14/h2-6,10-11,13H,7-9H2,1H3,(H,19,20)
InChIKeyVHPNGFNZLHVSEF-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
2-[ethyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 62820285
2-methyl-3-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid
CID 64915312
2,2-dimethyl-4-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 122126840
2-ethyl-2-[[(1-phenylpyrazol-4-yl)methylamino]methyl]butanoic acid
CID 122129184
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
ethyl 2-methyl-2-[(1-phenylpyrazol-4-yl)methyl]but-3-enoate
CID 102638918
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784885
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022979
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 120815129

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid (CID 83148012) is 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid is CC(Cc1cnn(-c2ccccc2)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid?
The InChIKey is VHPNGFNZLHVSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(15(19)20,13-7-8-13)9-12-10-17-18(11-12)14-5-3-2-4-6-14/h2-6,10-11,13H,7-9H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid?
2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-3-(1-phenylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 83148012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).