1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea

C10H19N5O — CID 83116402

IUPAC1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
SMILESCC(NCCNC(=O)N(C)C)c1ccn[nH]1
InChIInChI=1S/C10H19N5O/c1-8(9-4-5-13-14-9)11-6-7-12-10(16)15(2)3/h4-5,8,11H,6-7H2,1-3H3,(H,12,16)(H,13,14)
InChIKeySEUNOHYDRHXWFD-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.33
Rot. Bonds5

About 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea

1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea (PubChem CID 83116402) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
PubChem CID83116402
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea
SMILESCC(NCCNC(=O)N(C)C)c1ccn[nH]1
InChIInChI=1S/C10H19N5O/c1-8(9-4-5-13-14-9)11-6-7-12-10(16)15(2)3/h4-5,8,11H,6-7H2,1-3H3,(H,12,16)(H,13,14)
InChIKeySEUNOHYDRHXWFD-UHFFFAOYSA-N
XLogP0.33
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea (CID 83116402) is 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea is CC(NCCNC(=O)N(C)C)c1ccn[nH]1.
What is the InChIKey of 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea?
The InChIKey is SEUNOHYDRHXWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(9-4-5-13-14-9)11-6-7-12-10(16)15(2)3/h4-5,8,11H,6-7H2,1-3H3,(H,12,16)(H,13,14).
What are the key properties of 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea?
1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea has a molecular weight of 225.30 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]urea is sourced from PubChem (CID 83116402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).