2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide

C12H16N6O2 — CID 573224

IUPAC2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCNC(=O)c1ccnn1C
InChIInChI=1S/C12H16N6O2/c1-17-9(3-5-15-17)11(19)13-7-8-14-12(20)10-4-6-16-18(10)2/h3-6H,7-8H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyFMLKFAALYNKHBV-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.69
Rot. Bonds5

About 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide

2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide (PubChem CID 573224) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide
PubChem CID573224
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCNC(=O)c1ccnn1C
InChIInChI=1S/C12H16N6O2/c1-17-9(3-5-15-17)11(19)13-7-8-14-12(20)10-4-6-16-18(10)2/h3-6H,7-8H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyFMLKFAALYNKHBV-UHFFFAOYSA-N
XLogP-0.69
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide (CID 573224) is 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NCCNC(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide?
The InChIKey is FMLKFAALYNKHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-17-9(3-5-15-17)11(19)13-7-8-14-12(20)10-4-6-16-18(10)2/h3-6H,7-8H2,1-2H3,(H,13,19)(H,14,20).
What are the key properties of 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide?
2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-methylpyrazole-3-carbonyl)amino]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 573224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).