1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea

C14H18N4O2 — CID 111578993

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NCCC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-18-10-8-13(17-18)16-14(20)15-9-7-12(19)11-5-3-2-4-6-11/h2-6,8,10,12,19H,7,9H2,1H3,(H2,15,16,17,20)
InChIKeyMSBMZCFLGJEAOD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.67
Rot. Bonds5

About 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea

1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 111578993) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID111578993
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NCCC(O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2/c1-18-10-8-13(17-18)16-14(20)15-9-7-12(19)11-5-3-2-4-6-11/h2-6,8,10,12,19H,7,9H2,1H3,(H2,15,16,17,20)
InChIKeyMSBMZCFLGJEAOD-UHFFFAOYSA-N
XLogP1.67
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea (CID 111578993) is 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)NCCC(O)c2ccccc2)n1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is MSBMZCFLGJEAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-10-8-13(17-18)16-14(20)15-9-7-12(19)11-5-3-2-4-6-11/h2-6,8,10,12,19H,7,9H2,1H3,(H2,15,16,17,20).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea?
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 111578993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).