1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea

C13H24N4O2 — CID 71931727

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea
SMILESCCC(CC)C(O)CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C13H24N4O2/c1-5-10(6-2)11(18)8-14-13(19)15-12-7-9(3)16-17(12)4/h7,10-11,18H,5-6,8H2,1-4H3,(H2,14,15,19)
InChIKeyHMNMNQQLDHOZHB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.65
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea (PubChem CID 71931727) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea
PubChem CID71931727
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea
SMILESCCC(CC)C(O)CNC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C13H24N4O2/c1-5-10(6-2)11(18)8-14-13(19)15-12-7-9(3)16-17(12)4/h7,10-11,18H,5-6,8H2,1-4H3,(H2,14,15,19)
InChIKeyHMNMNQQLDHOZHB-UHFFFAOYSA-N
XLogP1.65
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea (CID 71931727) is 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea is CCC(CC)C(O)CNC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea?
The InChIKey is HMNMNQQLDHOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-10(6-2)11(18)8-14-13(19)15-12-7-9(3)16-17(12)4/h7,10-11,18H,5-6,8H2,1-4H3,(H2,14,15,19).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea has a molecular weight of 268.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea is sourced from PubChem (CID 71931727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).