1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C10H17FN4O — CID 25119846

IUPAC1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CNC(=O)NCCF
InChIInChI=1S/C10H17FN4O/c1-7-9(8(2)15(3)14-7)6-13-10(16)12-5-4-11/h4-6H2,1-3H3,(H2,12,13,16)
InChIKeyXDJAZERABDXGIW-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.81
Rot. Bonds4

About 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 25119846) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID25119846
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CNC(=O)NCCF
InChIInChI=1S/C10H17FN4O/c1-7-9(8(2)15(3)14-7)6-13-10(16)12-5-4-11/h4-6H2,1-3H3,(H2,12,13,16)
InChIKeyXDJAZERABDXGIW-UHFFFAOYSA-N
XLogP0.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 25119846) is 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1nn(C)c(C)c1CNC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is XDJAZERABDXGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-7-9(8(2)15(3)14-7)6-13-10(16)12-5-4-11/h4-6H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 228.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 25119846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).