2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid

C11H16N2O3 — CID 71187129

IUPAC2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(CCO)c(C2CC2)nn1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-7-9(4-5-14)11(8-2-3-8)12-13(7)6-10(15)16/h8,14H,2-6H2,1H3,(H,15,16)
InChIKeyMSXTZMQXTRCDQC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.69
Rot. Bonds5

About 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid

2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid (PubChem CID 71187129) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid
PubChem CID71187129
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(CCO)c(C2CC2)nn1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-7-9(4-5-14)11(8-2-3-8)12-13(7)6-10(15)16/h8,14H,2-6H2,1H3,(H,15,16)
InChIKeyMSXTZMQXTRCDQC-UHFFFAOYSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid (CID 71187129) is 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid is Cc1c(CCO)c(C2CC2)nn1CC(=O)O.
What is the InChIKey of 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid?
The InChIKey is MSXTZMQXTRCDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-9(4-5-14)11(8-2-3-8)12-13(7)6-10(15)16/h8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid?
2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 71187129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).