2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid

C9H12N2O3 — CID 167367439

IUPAC2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid
SMILESCn1cc(C2CC2)c(C(O)C(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-11-4-6(5-2-3-5)7(10-11)8(12)9(13)14/h4-5,8,12H,2-3H2,1H3,(H,13,14)
InChIKeyVDJPCSDAVGFSCV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.42
Rot. Bonds3

About 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid

2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid (PubChem CID 167367439) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid
PubChem CID167367439
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid
SMILESCn1cc(C2CC2)c(C(O)C(=O)O)n1
InChIInChI=1S/C9H12N2O3/c1-11-4-6(5-2-3-5)7(10-11)8(12)9(13)14/h4-5,8,12H,2-3H2,1H3,(H,13,14)
InChIKeyVDJPCSDAVGFSCV-UHFFFAOYSA-N
XLogP0.42
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid (CID 167367439) is 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid is Cn1cc(C2CC2)c(C(O)C(=O)O)n1.
What is the InChIKey of 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid?
The InChIKey is VDJPCSDAVGFSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-4-6(5-2-3-5)7(10-11)8(12)9(13)14/h4-5,8,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid?
2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 167367439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).