1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

C11H15N5O4 — CID 107438736

IUPAC1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCn1nccc1CNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C11H15N5O4/c1-15-7(2-3-14-15)4-13-11(20)16-6-9(17)12-5-8(16)10(18)19/h2-3,8H,4-6H2,1H3,(H,12,17)(H,13,20)(H,18,19)
InChIKeyMOFSBNDTKHUNIF-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.49
Rot. Bonds3

About 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107438736) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107438736
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCn1nccc1CNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C11H15N5O4/c1-15-7(2-3-14-15)4-13-11(20)16-6-9(17)12-5-8(16)10(18)19/h2-3,8H,4-6H2,1H3,(H,12,17)(H,13,20)(H,18,19)
InChIKeyMOFSBNDTKHUNIF-UHFFFAOYSA-N
XLogP-1.49
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107438736) is 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is Cn1nccc1CNC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is MOFSBNDTKHUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-15-7(2-3-14-15)4-13-11(20)16-6-9(17)12-5-8(16)10(18)19/h2-3,8H,4-6H2,1H3,(H,12,17)(H,13,20)(H,18,19).
What are the key properties of 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107438736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).