1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea

C13H19F3N4O2 — CID 19449764

IUPAC1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(COCC(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C13H19F3N4O2/c14-13(15,16)8-22-9-20-7-11(6-17-20)19-12(21)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H2,18,19,21)
InChIKeyKCKQDHMVZUBXFG-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.87
Rot. Bonds5

About 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea

1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea (PubChem CID 19449764) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea
PubChem CID19449764
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(COCC(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C13H19F3N4O2/c14-13(15,16)8-22-9-20-7-11(6-17-20)19-12(21)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H2,18,19,21)
InChIKeyKCKQDHMVZUBXFG-UHFFFAOYSA-N
XLogP2.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19340779
1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea
CID 39854205
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19526355
1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
CID 35592061
1-butyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]thiourea
CID 19445996
2-iodo-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340670
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19537438
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19540139
3-fluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340739
3,5-dinitro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340710

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea (CID 19449764) is 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea is O=C(Nc1cnn(COCC(F)(F)F)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea?
The InChIKey is KCKQDHMVZUBXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c14-13(15,16)8-22-9-20-7-11(6-17-20)19-12(21)18-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea?
1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea has a molecular weight of 320.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 19449764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).