2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide

C11H15N5O4 — CID 172503234

IUPAC2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide
SMILESCn1nccc1C(=O)NC(CCC(=O)C(N)=O)C(N)=O
InChIInChI=1S/C11H15N5O4/c1-16-7(4-5-14-16)11(20)15-6(9(12)18)2-3-8(17)10(13)19/h4-6H,2-3H2,1H3,(H2,12,18)(H2,13,19)(H,15,20)
InChIKeyDJQGODRKNYVPKV-UHFFFAOYSA-N
MW281.27 g/mol
LogP-2.16
Rot. Bonds7

About 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide

2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide (PubChem CID 172503234) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide.

Molecular Properties

Compound Name2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide
PubChem CID172503234
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide
SMILESCn1nccc1C(=O)NC(CCC(=O)C(N)=O)C(N)=O
InChIInChI=1S/C11H15N5O4/c1-16-7(4-5-14-16)11(20)15-6(9(12)18)2-3-8(17)10(13)19/h4-6H,2-3H2,1H3,(H2,12,18)(H2,13,19)(H,15,20)
InChIKeyDJQGODRKNYVPKV-UHFFFAOYSA-N
XLogP-2.16
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide 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

N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 67555455
2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide
CID 175901788
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
CID 63755943
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 77039413
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide?
The IUPAC name of 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide (CID 172503234) is 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide.
What is the SMILES notation for 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide?
The canonical SMILES for 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide is Cn1nccc1C(=O)NC(CCC(=O)C(N)=O)C(N)=O.
What is the InChIKey of 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide?
The InChIKey is DJQGODRKNYVPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-16-7(4-5-14-16)11(20)15-6(9(12)18)2-3-8(17)10(13)19/h4-6H,2-3H2,1H3,(H2,12,18)(H2,13,19)(H,15,20).
What are the key properties of 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide?
2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide has a molecular weight of 281.27 g/mol, XLogP of -2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide is sourced from PubChem (CID 172503234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).