1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

C15H28N4O2 — CID 111508005

IUPAC1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCCCC(O)CNC(=O)NC(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H28N4O2/c1-6-7-13(20)9-16-15(21)17-10(2)8-14-11(3)18-19(5)12(14)4/h10,13,20H,6-9H2,1-5H3,(H2,16,17,21)
InChIKeyAEJZIDFWPJZRKX-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.43
Rot. Bonds7

About 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 111508005) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
PubChem CID111508005
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCCCC(O)CNC(=O)NC(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H28N4O2/c1-6-7-13(20)9-16-15(21)17-10(2)8-14-11(3)18-19(5)12(14)4/h10,13,20H,6-9H2,1-5H3,(H2,16,17,21)
InChIKeyAEJZIDFWPJZRKX-UHFFFAOYSA-N
XLogP1.43
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 111508005) is 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is CCCC(O)CNC(=O)NC(C)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The InChIKey is AEJZIDFWPJZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-7-13(20)9-16-15(21)17-10(2)8-14-11(3)18-19(5)12(14)4/h10,13,20H,6-9H2,1-5H3,(H2,16,17,21).
What are the key properties of 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 296.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 111508005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).