1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C17H24N4O — CID 60595650

IUPAC1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1C(C)NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-11(15-9-7-6-8-10-15)18-17(22)19-12(2)16-13(3)20-21(5)14(16)4/h6-12H,1-5H3,(H2,18,19,22)
InChIKeyIKLLEDNGHPXXPH-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.16
Rot. Bonds4

About 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 60595650) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID60595650
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1C(C)NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H24N4O/c1-11(15-9-7-6-8-10-15)18-17(22)19-12(2)16-13(3)20-21(5)14(16)4/h6-12H,1-5H3,(H2,18,19,22)
InChIKeyIKLLEDNGHPXXPH-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-phenylbutan-2-yl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95760938
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95733895
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95032727
1-(6-pyrazol-1-yl-3-pyridinyl)-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95198776
N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide
CID 71883835
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 96518570
[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825272
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51096099

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 60595650) is 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1C(C)NC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is IKLLEDNGHPXXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(15-9-7-6-8-10-15)18-17(22)19-12(2)16-13(3)20-21(5)14(16)4/h6-12H,1-5H3,(H2,18,19,22).
What are the key properties of 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 300.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 60595650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).