1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea

C10H16F2N4O2 — CID 100725546

IUPAC1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
SMILESCOCCn1cc(CNC(=O)NCC(F)F)cn1
InChIInChI=1S/C10H16F2N4O2/c1-18-3-2-16-7-8(5-15-16)4-13-10(17)14-6-9(11)12/h5,7,9H,2-4,6H2,1H3,(H2,13,14,17)
InChIKeyQLCLFPHLCYTDAG-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.59
Rot. Bonds7

About 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea

1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea (PubChem CID 100725546) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
PubChem CID100725546
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
SMILESCOCCn1cc(CNC(=O)NCC(F)F)cn1
InChIInChI=1S/C10H16F2N4O2/c1-18-3-2-16-7-8(5-15-16)4-13-10(17)14-6-9(11)12/h5,7,9H,2-4,6H2,1H3,(H2,13,14,17)
InChIKeyQLCLFPHLCYTDAG-UHFFFAOYSA-N
XLogP0.59
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea (CID 100725546) is 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea is COCCn1cc(CNC(=O)NCC(F)F)cn1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The InChIKey is QLCLFPHLCYTDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-18-3-2-16-7-8(5-15-16)4-13-10(17)14-6-9(11)12/h5,7,9H,2-4,6H2,1H3,(H2,13,14,17).
What are the key properties of 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea has a molecular weight of 262.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea is sourced from PubChem (CID 100725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).