2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid

C8H12N2O3 — CID 82406815

IUPAC2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid
SMILESCc1cnn(C)c1C(C)(O)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-4-9-10(3)6(5)8(2,13)7(11)12/h4,13H,1-3H3,(H,11,12)
InChIKeyMIDDDNKGJKADHX-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.02
Rot. Bonds2

About 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid

2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid (PubChem CID 82406815) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid
PubChem CID82406815
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid
SMILESCc1cnn(C)c1C(C)(O)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-4-9-10(3)6(5)8(2,13)7(11)12/h4,13H,1-3H3,(H,11,12)
InChIKeyMIDDDNKGJKADHX-UHFFFAOYSA-N
XLogP0.02
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
methyl 2-hydroxy-2-(1-methyl-1H-pyrazol-5-yl)acetate
CID 65946964
Methyl 2-hydroxy-2-(1-methyl-1h-pyrazol-3-yl)acetate
CID 103130210
2-(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid hydrochloride
CID 154857215
2-(1,4-dimethyl-1H-pyrazol-5-yl)oxolane-2-carboxylic acid
CID 165487858
(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid
CID 67530460
2-(1,4-Dimethyl-1H-pyrazol-5-yl)-2-fluoroacetic acid
CID 115013974
2-(1-Ethyl-4-methylpyrazol-5-yl)-2-fluoroacetic acid
CID 115017041
2-(1,4-Dimethyl-1H-pyrazol-5-yl)-2,2-difluoroacetic acid
CID 115017992
2-Fluoro-2-(4-methyl-1-propan-2-ylpyrazol-5-yl)acetic acid
CID 115021925
2-(1-Ethyl-4-methylpyrazol-5-yl)-2,2-difluoroacetic acid
CID 115023238
2-(1,4-dimethyl-1H-pyrazol-3-yl)propanoic acid
CID 67530090

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid (CID 82406815) is 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid is Cc1cnn(C)c1C(C)(O)C(=O)O.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid?
The InChIKey is MIDDDNKGJKADHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-4-9-10(3)6(5)8(2,13)7(11)12/h4,13H,1-3H3,(H,11,12).
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid?
2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 82406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).