1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C20H21FN4O2 — CID 38337565

IUPAC1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCCOc1cccc(F)c1)NCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H21FN4O2/c21-18-3-1-4-19(13-18)27-12-10-22-20(26)23-14-16-5-7-17(8-6-16)15-25-11-2-9-24-25/h1-9,11,13H,10,12,14-15H2,(H2,22,23,26)
InChIKeyUHWURHRMEBPAJT-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.95
Rot. Bonds8

About 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 38337565) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID38337565
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCCOc1cccc(F)c1)NCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H21FN4O2/c21-18-3-1-4-19(13-18)27-12-10-22-20(26)23-14-16-5-7-17(8-6-16)15-25-11-2-9-24-25/h1-9,11,13H,10,12,14-15H2,(H2,22,23,26)
InChIKeyUHWURHRMEBPAJT-UHFFFAOYSA-N
XLogP2.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 38337565) is 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCCOc1cccc(F)c1)NCc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is UHWURHRMEBPAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-18-3-1-4-19(13-18)27-12-10-22-20(26)23-14-16-5-7-17(8-6-16)15-25-11-2-9-24-25/h1-9,11,13H,10,12,14-15H2,(H2,22,23,26).
What are the key properties of 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 368.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)ethyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 38337565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).