1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide

C16H24N6O2 — CID 19576787

IUPAC1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCNC(=O)c2cn(CC)nc2C)c(C)n1
InChIInChI=1S/C16H24N6O2/c1-5-21-9-13(11(3)19-21)15(23)17-7-8-18-16(24)14-10-22(6-2)20-12(14)4/h9-10H,5-8H2,1-4H3,(H,17,23)(H,18,24)
InChIKeyKLGFARBFXHQQTF-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.90
Rot. Bonds7

About 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide

1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 19576787) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide
PubChem CID19576787
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCCNC(=O)c2cn(CC)nc2C)c(C)n1
InChIInChI=1S/C16H24N6O2/c1-5-21-9-13(11(3)19-21)15(23)17-7-8-18-16(24)14-10-22(6-2)20-12(14)4/h9-10H,5-8H2,1-4H3,(H,17,23)(H,18,24)
InChIKeyKLGFARBFXHQQTF-UHFFFAOYSA-N
XLogP0.90
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide (CID 19576787) is 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)NCCNC(=O)c2cn(CC)nc2C)c(C)n1.
What is the InChIKey of 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is KLGFARBFXHQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-5-21-9-13(11(3)19-21)15(23)17-7-8-18-16(24)14-10-22(6-2)20-12(14)4/h9-10H,5-8H2,1-4H3,(H,17,23)(H,18,24).
What are the key properties of 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide?
1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]ethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19576787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).