1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea

C18H26N4O2 — CID 111431749

IUPAC1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea
SMILESCCCC(O)CNC(=O)Nc1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C18H26N4O2/c1-4-8-15(23)12-19-18(24)20-17-11-16(21-22(17)13(2)3)14-9-6-5-7-10-14/h5-7,9-11,13,15,23H,4,8,12H2,1-3H3,(H2,19,20,24)
InChIKeyITNAWYZTUYIGKG-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.41
Rot. Bonds7

About 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea

1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea (PubChem CID 111431749) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea
PubChem CID111431749
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea
SMILESCCCC(O)CNC(=O)Nc1cc(-c2ccccc2)nn1C(C)C
InChIInChI=1S/C18H26N4O2/c1-4-8-15(23)12-19-18(24)20-17-11-16(21-22(17)13(2)3)14-9-6-5-7-10-14/h5-7,9-11,13,15,23H,4,8,12H2,1-3H3,(H2,19,20,24)
InChIKeyITNAWYZTUYIGKG-UHFFFAOYSA-N
XLogP3.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.41
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-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea (CID 111431749) is 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea is CCCC(O)CNC(=O)Nc1cc(-c2ccccc2)nn1C(C)C.
What is the InChIKey of 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
The InChIKey is ITNAWYZTUYIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-8-15(23)12-19-18(24)20-17-11-16(21-22(17)13(2)3)14-9-6-5-7-10-14/h5-7,9-11,13,15,23H,4,8,12H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea?
1-(2-hydroxypentyl)-3-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.41, 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-(3-phenyl-1-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 111431749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).