5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid

C11H18N4O3 — CID 69158990

IUPAC5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1N1CCN(CCO)CC1
InChIInChI=1S/C11H18N4O3/c1-13-10(9(8-12-13)11(17)18)15-4-2-14(3-5-15)6-7-16/h8,16H,2-7H2,1H3,(H,17,18)
InChIKeyDTMUUDASKIIPEZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.77
Rot. Bonds4

About 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid

5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 69158990) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid
PubChem CID69158990
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1N1CCN(CCO)CC1
InChIInChI=1S/C11H18N4O3/c1-13-10(9(8-12-13)11(17)18)15-4-2-14(3-5-15)6-7-16/h8,16H,2-7H2,1H3,(H,17,18)
InChIKeyDTMUUDASKIIPEZ-UHFFFAOYSA-N
XLogP-0.77
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid (CID 69158990) is 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1N1CCN(CCO)CC1.
What is the InChIKey of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is DTMUUDASKIIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13-10(9(8-12-13)11(17)18)15-4-2-14(3-5-15)6-7-16/h8,16H,2-7H2,1H3,(H,17,18).
What are the key properties of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid?
5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 69158990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).