2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid

C11H16N2O4 — CID 62713916

IUPAC2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid
SMILESO=C(O)CC1=NN(C2CCCCC2O)C(=O)C1
InChIInChI=1S/C11H16N2O4/c14-9-4-2-1-3-8(9)13-10(15)5-7(12-13)6-11(16)17/h8-9,14H,1-6H2,(H,16,17)
InChIKeyZSYFBXFJVMLJHP-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.35
Rot. Bonds3

About 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid

2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid (PubChem CID 62713916) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid
PubChem CID62713916
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid
SMILESO=C(O)CC1=NN(C2CCCCC2O)C(=O)C1
InChIInChI=1S/C11H16N2O4/c14-9-4-2-1-3-8(9)13-10(15)5-7(12-13)6-11(16)17/h8-9,14H,1-6H2,(H,16,17)
InChIKeyZSYFBXFJVMLJHP-UHFFFAOYSA-N
XLogP0.35
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid (CID 62713916) is 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid is O=C(O)CC1=NN(C2CCCCC2O)C(=O)C1.
What is the InChIKey of 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid?
The InChIKey is ZSYFBXFJVMLJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-4-2-1-3-8(9)13-10(15)5-7(12-13)6-11(16)17/h8-9,14H,1-6H2,(H,16,17).
What are the key properties of 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid?
2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxycyclohexyl)-5-oxo-4H-pyrazol-3-yl]acetic acid is sourced from PubChem (CID 62713916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).