1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea

C17H22FN5O2 — CID 56784570

IUPAC1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1ccccc1F)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C17H22FN5O2/c18-15-4-2-1-3-14(15)13-19-17(24)20-16-5-6-23(21-16)8-7-22-9-11-25-12-10-22/h1-6H,7-13H2,(H2,19,20,21,24)
InChIKeyOBOXLQIASHHSJO-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.68
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea

1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea (PubChem CID 56784570) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
PubChem CID56784570
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1ccccc1F)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C17H22FN5O2/c18-15-4-2-1-3-14(15)13-19-17(24)20-16-5-6-23(21-16)8-7-22-9-11-25-12-10-22/h1-6H,7-13H2,(H2,19,20,21,24)
InChIKeyOBOXLQIASHHSJO-UHFFFAOYSA-N
XLogP1.68
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea (CID 56784570) is 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea is O=C(NCc1ccccc1F)Nc1ccn(CCN2CCOCC2)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The InChIKey is OBOXLQIASHHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c18-15-4-2-1-3-14(15)13-19-17(24)20-16-5-6-23(21-16)8-7-22-9-11-25-12-10-22/h1-6H,7-13H2,(H2,19,20,21,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea has a molecular weight of 347.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 56784570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).