2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea

C9H18N6O — CID 83116801

IUPAC2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea
SMILESCCc1nn(C)c(NCCNC(N)=O)c1N
InChIInChI=1S/C9H18N6O/c1-3-6-7(10)8(15(2)14-6)12-4-5-13-9(11)16/h12H,3-5,10H2,1-2H3,(H3,11,13,16)
InChIKeyWLLBMSWAQWEXLI-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.36
Rot. Bonds5

About 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea (PubChem CID 83116801) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea
PubChem CID83116801
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea
SMILESCCc1nn(C)c(NCCNC(N)=O)c1N
InChIInChI=1S/C9H18N6O/c1-3-6-7(10)8(15(2)14-6)12-4-5-13-9(11)16/h12H,3-5,10H2,1-2H3,(H3,11,13,16)
InChIKeyWLLBMSWAQWEXLI-UHFFFAOYSA-N
XLogP-0.36
TPSA110.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea?
The IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea (CID 83116801) is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea.
What is the SMILES notation for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea?
The canonical SMILES for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea is CCc1nn(C)c(NCCNC(N)=O)c1N.
What is the InChIKey of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea?
The InChIKey is WLLBMSWAQWEXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-3-6-7(10)8(15(2)14-6)12-4-5-13-9(11)16/h12H,3-5,10H2,1-2H3,(H3,11,13,16).
What are the key properties of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea?
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea has a molecular weight of 226.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]ethylurea is sourced from PubChem (CID 83116801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).