2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid

C12H18N4O4 — CID 65071057

IUPAC2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1Cc1cnn(CCO)c1
InChIInChI=1S/C12H18N4O4/c17-4-3-16-8-9(6-14-16)7-15-2-1-13-12(20)10(15)5-11(18)19/h6,8,10,17H,1-5,7H2,(H,13,20)(H,18,19)
InChIKeyGMYCQYJWTHNBAG-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.35
Rot. Bonds6

About 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 65071057) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID65071057
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1Cc1cnn(CCO)c1
InChIInChI=1S/C12H18N4O4/c17-4-3-16-8-9(6-14-16)7-15-2-1-13-12(20)10(15)5-11(18)19/h6,8,10,17H,1-5,7H2,(H,13,20)(H,18,19)
InChIKeyGMYCQYJWTHNBAG-UHFFFAOYSA-N
XLogP-1.35
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 79595130
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
2-[1-[[4-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115525652
2-[1-[(3-hydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071352
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45178129
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]azepane-2-carboxylic acid
CID 65069711
2-[3-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-2-yl]acetic acid
CID 65071207
2-[1-[[3-(difluoromethyl)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 115529673
2-[1-[(2,4-dihydroxyphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 65071302
2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 952252
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848549

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid (CID 65071057) is 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1Cc1cnn(CCO)c1.
What is the InChIKey of 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is GMYCQYJWTHNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c17-4-3-16-8-9(6-14-16)7-15-2-1-13-12(20)10(15)5-11(18)19/h6,8,10,17H,1-5,7H2,(H,13,20)(H,18,19).
What are the key properties of 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of -1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 65071057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).