3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid

C7H10N2O2 — CID 175976153

IUPAC3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid
SMILES[2H]Cn1ccc(CCC(=O)O)n1
InChIInChI=1S/C7H10N2O2/c1-9-5-4-6(8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)/i1D
InChIKeyPPFKNQWVFHTYMV-MICDWDOJSA-N
MW155.18 g/mol
LogP0.44
Rot. Bonds4

About 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid

3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid (PubChem CID 175976153) has the molecular formula C7H10N2O2 and a molecular weight of 155.18 g/mol. Its IUPAC name is 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid
PubChem CID175976153
Molecular FormulaC7H10N2O2
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid
SMILES[2H]Cn1ccc(CCC(=O)O)n1
InChIInChI=1S/C7H10N2O2/c1-9-5-4-6(8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)/i1D
InChIKeyPPFKNQWVFHTYMV-MICDWDOJSA-N
XLogP0.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]propanoic acid
CID 106104161
3-(1-ethylpyrazol-3-yl)propanoic acid;methanamine
CID 144584790
3-[1-(difluoromethyl)pyrazol-3-yl]propanoic acid
CID 175976138
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
1-amino-4-(1-methylpyrazol-3-yl)butan-2-one
CID 82413753
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
3-[1-(3,4-dimethylphenyl)pyrazol-3-yl]propanoic acid
CID 116818163
4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
CID 19620319
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
3-[1-(3,4-difluorophenyl)pyrazol-3-yl]propanoic acid
CID 116818186

Frequently Asked Questions

What is the IUPAC name of 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid (CID 175976153) is 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid is [2H]Cn1ccc(CCC(=O)O)n1.
What is the InChIKey of 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid?
The InChIKey is PPFKNQWVFHTYMV-MICDWDOJSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-9-5-4-6(8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)/i1D.
What are the key properties of 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid?
3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid has a molecular weight of 155.18 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(deuteriomethyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 175976153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).