(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid

C8H12N2O3 — CID 125425002

IUPAC(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
SMILESCc1nn(C)cc1C[C@H](O)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(4-10(2)9-5)3-7(11)8(12)13/h4,7,11H,3H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyLGEGNFKBMKPHIL-ZETCQYMHSA-N
MW184.19 g/mol
LogP-0.28
Rot. Bonds3

About (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid

(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid (PubChem CID 125425002) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
PubChem CID125425002
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
SMILESCc1nn(C)cc1C[C@H](O)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-5-6(4-10(2)9-5)3-7(11)8(12)13/h4,7,11H,3H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyLGEGNFKBMKPHIL-ZETCQYMHSA-N
XLogP-0.28
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(1,3-dimethylpyrazol-4-yl)-4,4-dimethylpentan-3-one
CID 102807373
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607
(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 40599781
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
4-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 127002490
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 83089118
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 112671638
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
2-[(1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetic acid
CID 83095079

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid (CID 125425002) is (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid is Cc1nn(C)cc1C[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
The InChIKey is LGEGNFKBMKPHIL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-6(4-10(2)9-5)3-7(11)8(12)13/h4,7,11H,3H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid?
(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid has a molecular weight of 184.19 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 125425002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).