3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid

C8H12N2O3 — CID 82406803

IUPAC3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
SMILESCc1[nH]ncc1C(C)(O)CC(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(4-9-10-5)8(2,13)3-7(11)12/h4,13H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeySRFXMVCYELVMNW-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.40
Rot. Bonds3

About 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid

3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid (PubChem CID 82406803) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
PubChem CID82406803
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
SMILESCc1[nH]ncc1C(C)(O)CC(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(4-9-10-5)8(2,13)3-7(11)12/h4,13H,3H2,1-2H3,(H,9,10)(H,11,12)
InChIKeySRFXMVCYELVMNW-UHFFFAOYSA-N
XLogP0.40
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-propyl-1H-pyrazole-4-carboxylic acid
CID 6484195
3-fluoro-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
CID 83817535
(3R)-3-hydroxy-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 95933495
(3S)-3-hydroxy-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 95933496
2-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 105478797
3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]butanoic acid
CID 165632236
3-methyl-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]butanoic acid
CID 165735021
3-hydroxy-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 165751834
2-amino-3-hydroxy-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 165791142
3-(3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
CID 23006024
3-methoxy-2-[(5-methyl-1H-pyrazol-4-yl)methyl]prop-2-enoic acid
CID 69036174

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid?
The IUPAC name of 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid (CID 82406803) is 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid is Cc1[nH]ncc1C(C)(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid?
The InChIKey is SRFXMVCYELVMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(4-9-10-5)8(2,13)3-7(11)12/h4,13H,3H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid?
3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid is sourced from PubChem (CID 82406803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).