1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C17H32N4O2 — CID 111754869

IUPAC1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-15(2,3)12-11-13(21(20-12)16(4,5)6)18-14(23)19-17(7,8)9-10-22/h11,22H,9-10H2,1-8H3,(H2,18,19,23)
InChIKeyGJHHIXUPAXMRIS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.22
Rot. Bonds4

About 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111754869) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111754869
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)(CCO)NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C17H32N4O2/c1-15(2,3)12-11-13(21(20-12)16(4,5)6)18-14(23)19-17(7,8)9-10-22/h11,22H,9-10H2,1-8H3,(H2,18,19,23)
InChIKeyGJHHIXUPAXMRIS-UHFFFAOYSA-N
XLogP3.22
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111754869) is 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is CC(C)(CCO)NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.
What is the InChIKey of 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is GJHHIXUPAXMRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-15(2,3)12-11-13(21(20-12)16(4,5)6)18-14(23)19-17(7,8)9-10-22/h11,22H,9-10H2,1-8H3,(H2,18,19,23).
What are the key properties of 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 324.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111754869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).