(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate

C7H10N2O3 — CID 130670080

IUPAC(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)Oc1cnn(C)c1
InChIInChI=1S/C7H10N2O3/c1-5(10)7(11)12-6-3-8-9(2)4-6/h3-5,10H,1-2H3/t5-/m1/s1
InChIKeyUUBOYYLMGVKUHA-RXMQYKEDSA-N
MW170.17 g/mol
LogP-0.29
Rot. Bonds2

About (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate

(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate (PubChem CID 130670080) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate
PubChem CID130670080
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)Oc1cnn(C)c1
InChIInChI=1S/C7H10N2O3/c1-5(10)7(11)12-6-3-8-9(2)4-6/h3-5,10H,1-2H3/t5-/m1/s1
InChIKeyUUBOYYLMGVKUHA-RXMQYKEDSA-N
XLogP-0.29
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate?
The IUPAC name of (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate (CID 130670080) is (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate.
What is the SMILES notation for (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate?
The canonical SMILES for (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate is C[C@@H](O)C(=O)Oc1cnn(C)c1.
What is the InChIKey of (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate?
The InChIKey is UUBOYYLMGVKUHA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)7(11)12-6-3-8-9(2)4-6/h3-5,10H,1-2H3/t5-/m1/s1.
What are the key properties of (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate?
(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate has a molecular weight of 170.17 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate is sourced from PubChem (CID 130670080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).