1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

C14H21F3N4O2 — CID 75477561

IUPAC1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N(CCO)C1CCCCC1
InChIInChI=1S/C14H21F3N4O2/c15-14(16,17)10-20-7-6-12(19-20)18-13(23)21(8-9-22)11-4-2-1-3-5-11/h6-7,11,22H,1-5,8-10H2,(H,18,19,23)
InChIKeyKWEWZVLFTCBKNY-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.60
Rot. Bonds5

About 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (PubChem CID 75477561) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
PubChem CID75477561
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N(CCO)C1CCCCC1
InChIInChI=1S/C14H21F3N4O2/c15-14(16,17)10-20-7-6-12(19-20)18-13(23)21(8-9-22)11-4-2-1-3-5-11/h6-7,11,22H,1-5,8-10H2,(H,18,19,23)
InChIKeyKWEWZVLFTCBKNY-UHFFFAOYSA-N
XLogP2.60
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (CID 75477561) is 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is O=C(Nc1ccn(CC(F)(F)F)n1)N(CCO)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The InChIKey is KWEWZVLFTCBKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c15-14(16,17)10-20-7-6-12(19-20)18-13(23)21(8-9-22)11-4-2-1-3-5-11/h6-7,11,22H,1-5,8-10H2,(H,18,19,23).
What are the key properties of 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea has a molecular weight of 334.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 75477561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).