1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea

C11H20N4O2 — CID 75443228

IUPAC1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea
SMILESCCN(CC)C(=O)Nc1c(C)nn(C)c1OC
InChIInChI=1S/C11H20N4O2/c1-6-15(7-2)11(16)12-9-8(3)13-14(4)10(9)17-5/h6-7H2,1-5H3,(H,12,16)
InChIKeyNSPBLZHNSFLCNV-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.61
Rot. Bonds4

About 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea

1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea (PubChem CID 75443228) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea
PubChem CID75443228
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea
SMILESCCN(CC)C(=O)Nc1c(C)nn(C)c1OC
InChIInChI=1S/C11H20N4O2/c1-6-15(7-2)11(16)12-9-8(3)13-14(4)10(9)17-5/h6-7H2,1-5H3,(H,12,16)
InChIKeyNSPBLZHNSFLCNV-UHFFFAOYSA-N
XLogP1.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea?
The IUPAC name of 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea (CID 75443228) is 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea is CCN(CC)C(=O)Nc1c(C)nn(C)c1OC.
What is the InChIKey of 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea?
The InChIKey is NSPBLZHNSFLCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6-15(7-2)11(16)12-9-8(3)13-14(4)10(9)17-5/h6-7H2,1-5H3,(H,12,16).
What are the key properties of 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea?
1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea has a molecular weight of 240.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)urea is sourced from PubChem (CID 75443228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).