1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C18H23FN4O2 — CID 71853307

IUPAC1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)N(Cc2ccccc2F)C2CCC2)n1
InChIInChI=1S/C18H23FN4O2/c1-25-12-11-22-10-9-17(21-22)20-18(24)23(15-6-4-7-15)13-14-5-2-3-8-16(14)19/h2-3,5,8-10,15H,4,6-7,11-13H2,1H3,(H,20,21,24)
InChIKeyRSDNQLBLMCWVNX-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.26
Rot. Bonds7

About 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 71853307) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID71853307
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)N(Cc2ccccc2F)C2CCC2)n1
InChIInChI=1S/C18H23FN4O2/c1-25-12-11-22-10-9-17(21-22)20-18(24)23(15-6-4-7-15)13-14-5-2-3-8-16(14)19/h2-3,5,8-10,15H,4,6-7,11-13H2,1H3,(H,20,21,24)
InChIKeyRSDNQLBLMCWVNX-UHFFFAOYSA-N
XLogP3.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 71853307) is 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is COCCn1ccc(NC(=O)N(Cc2ccccc2F)C2CCC2)n1.
What is the InChIKey of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is RSDNQLBLMCWVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-25-12-11-22-10-9-17(21-22)20-18(24)23(15-6-4-7-15)13-14-5-2-3-8-16(14)19/h2-3,5,8-10,15H,4,6-7,11-13H2,1H3,(H,20,21,24).
What are the key properties of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 346.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 71853307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).