1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

C10H13N5O4 — CID 107437990

IUPAC1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCn1cc(NC(=O)N2CC(=O)NCC2C(=O)O)cn1
InChIInChI=1S/C10H13N5O4/c1-14-4-6(2-12-14)13-10(19)15-5-8(16)11-3-7(15)9(17)18/h2,4,7H,3,5H2,1H3,(H,11,16)(H,13,19)(H,17,18)
InChIKeyABJJVCUQTVHQCC-UHFFFAOYSA-N
MW267.25 g/mol
LogP-1.16
Rot. Bonds2

About 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107437990) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107437990
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCn1cc(NC(=O)N2CC(=O)NCC2C(=O)O)cn1
InChIInChI=1S/C10H13N5O4/c1-14-4-6(2-12-14)13-10(19)15-5-8(16)11-3-7(15)9(17)18/h2,4,7H,3,5H2,1H3,(H,11,16)(H,13,19)(H,17,18)
InChIKeyABJJVCUQTVHQCC-UHFFFAOYSA-N
XLogP-1.16
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic 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

1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61199274
1-[(2-methylpyrazol-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438736
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
1-[(2-iodophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437539
1-[(2-aminophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438136
N-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 112728864
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(2-cyclopropylpropan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 114111615
1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106389297
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610
1-[(4-chloro-2-fluorophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438273
1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106039103

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 107437990) is 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is Cn1cc(NC(=O)N2CC(=O)NCC2C(=O)O)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is ABJJVCUQTVHQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-14-4-6(2-12-14)13-10(19)15-5-8(16)11-3-7(15)9(17)18/h2,4,7H,3,5H2,1H3,(H,11,16)(H,13,19)(H,17,18).
What are the key properties of 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).