1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

C15H18ClFN4O2 — CID 75394048

IUPAC1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NCC(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN4O2/c1-9(2)21-14(5-6-19-21)20-15(23)18-8-13(22)10-3-4-11(16)12(17)7-10/h3-7,9,13,22H,8H2,1-2H3,(H2,18,20,23)
InChIKeyWOWJURVTLXJGAJ-UHFFFAOYSA-N
MW340.79 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 75394048) has the molecular formula C15H18ClFN4O2 and a molecular weight of 340.79 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
PubChem CID75394048
Molecular FormulaC15H18ClFN4O2
Molecular Weight340.79 g/mol
Exact Mass340.11
IUPAC Name1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NCC(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN4O2/c1-9(2)21-14(5-6-19-21)20-15(23)18-8-13(22)10-3-4-11(16)12(17)7-10/h3-7,9,13,22H,8H2,1-2H3,(H2,18,20,23)
InChIKeyWOWJURVTLXJGAJ-UHFFFAOYSA-N
XLogP3.11
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (CID 75394048) is 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is CC(C)n1nccc1NC(=O)NCC(O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is WOWJURVTLXJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O2/c1-9(2)21-14(5-6-19-21)20-15(23)18-8-13(22)10-3-4-11(16)12(17)7-10/h3-7,9,13,22H,8H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 340.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 75394048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).