1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea

C18H23FN4O — CID 75426252

IUPAC1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea
SMILESCCc1cc(CNC(=O)N(Cc2ccccc2F)C2CCC2)[nH]n1
InChIInChI=1S/C18H23FN4O/c1-2-14-10-15(22-21-14)11-20-18(24)23(16-7-5-8-16)12-13-6-3-4-9-17(13)19/h3-4,6,9-10,16H,2,5,7-8,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyKLXWSYJJGSPHRG-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.38
Rot. Bonds6

About 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea

1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea (PubChem CID 75426252) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea
PubChem CID75426252
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea
SMILESCCc1cc(CNC(=O)N(Cc2ccccc2F)C2CCC2)[nH]n1
InChIInChI=1S/C18H23FN4O/c1-2-14-10-15(22-21-14)11-20-18(24)23(16-7-5-8-16)12-13-6-3-4-9-17(13)19/h3-4,6,9-10,16H,2,5,7-8,11-12H2,1H3,(H,20,24)(H,21,22)
InChIKeyKLXWSYJJGSPHRG-UHFFFAOYSA-N
XLogP3.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea (CID 75426252) is 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea is CCc1cc(CNC(=O)N(Cc2ccccc2F)C2CCC2)[nH]n1.
What is the InChIKey of 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea?
The InChIKey is KLXWSYJJGSPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-2-14-10-15(22-21-14)11-20-18(24)23(16-7-5-8-16)12-13-6-3-4-9-17(13)19/h3-4,6,9-10,16H,2,5,7-8,11-12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea?
1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea has a molecular weight of 330.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(3-ethyl-1H-pyrazol-5-yl)methyl]-1-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 75426252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).