3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid

C13H14N2O2 — CID 82528795

IUPAC3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid
SMILESCc1c(CCC(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10-11(7-8-13(16)17)9-14-15(10)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyCBGBLKPZKKRXRP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.20
Rot. Bonds4

About 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid

3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid (PubChem CID 82528795) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid
PubChem CID82528795
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid
SMILESCc1c(CCC(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-10-11(7-8-13(16)17)9-14-15(10)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyCBGBLKPZKKRXRP-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3,5-dichlorophenyl)-5-methylpyrazol-4-yl]propanoic acid
CID 82528185
3-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]propanoic acid
CID 82528030
3-[5-chloro-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
CID 115068462
3-[5-amino-1-(2-methylphenyl)pyrazol-4-yl]propanoic acid
CID 115069456
4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole
CID 59743779
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]acetic acid
CID 82528327
(E)-2-methyl-3-(5-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
CID 170873447
1,7-bis(5-methyl-1-phenylpyrazol-4-yl)hepta-1,6-diene-3,5-dione
CID 178184437
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
7-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]heptanoic acid
CID 75405746
(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid (CID 82528795) is 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid is Cc1c(CCC(=O)O)cnn1-c1ccccc1.
What is the InChIKey of 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid?
The InChIKey is CBGBLKPZKKRXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-11(7-8-13(16)17)9-14-15(10)12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid?
3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 82528795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).