3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea

C18H26N4O2 — CID 110891183

IUPAC3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1cc(C)nn1Cc1ccccc1
InChIInChI=1S/C18H26N4O2/c1-3-4-10-21(11-12-23)18(24)19-17-13-15(2)20-22(17)14-16-8-6-5-7-9-16/h5-9,13,23H,3-4,10-12,14H2,1-2H3,(H,19,24)
InChIKeyAEJFPLJNTPETCB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.87
Rot. Bonds8

About 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea

3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea (PubChem CID 110891183) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea
PubChem CID110891183
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1cc(C)nn1Cc1ccccc1
InChIInChI=1S/C18H26N4O2/c1-3-4-10-21(11-12-23)18(24)19-17-13-15(2)20-22(17)14-16-8-6-5-7-9-16/h5-9,13,23H,3-4,10-12,14H2,1-2H3,(H,19,24)
InChIKeyAEJFPLJNTPETCB-UHFFFAOYSA-N
XLogP2.87
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea (CID 110891183) is 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea is CCCCN(CCO)C(=O)Nc1cc(C)nn1Cc1ccccc1.
What is the InChIKey of 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea?
The InChIKey is AEJFPLJNTPETCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-4-10-21(11-12-23)18(24)19-17-13-15(2)20-22(17)14-16-8-6-5-7-9-16/h5-9,13,23H,3-4,10-12,14H2,1-2H3,(H,19,24).
What are the key properties of 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea?
3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea has a molecular weight of 330.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-5-methylpyrazol-3-yl)-1-butyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110891183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).