1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea

C16H22N4O2 — CID 110936089

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCC(C)Cn1nccc1NC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-12(2)10-20-15(8-9-17-20)19-16(22)18-14(11-21)13-6-4-3-5-7-13/h3-9,12,14,21H,10-11H2,1-2H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyYRULAHZRMSQAFZ-CQSZACIVSA-N
MW302.38 g/mol
LogP2.39
Rot. Bonds6

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea (PubChem CID 110936089) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
PubChem CID110936089
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCC(C)Cn1nccc1NC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C16H22N4O2/c1-12(2)10-20-15(8-9-17-20)19-16(22)18-14(11-21)13-6-4-3-5-7-13/h3-9,12,14,21H,10-11H2,1-2H3,(H2,18,19,22)/t14-/m1/s1
InChIKeyYRULAHZRMSQAFZ-CQSZACIVSA-N
XLogP2.39
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea (CID 110936089) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea is CC(C)Cn1nccc1NC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The InChIKey is YRULAHZRMSQAFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)10-20-15(8-9-17-20)19-16(22)18-14(11-21)13-6-4-3-5-7-13/h3-9,12,14,21H,10-11H2,1-2H3,(H2,18,19,22)/t14-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea has a molecular weight of 302.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea is sourced from PubChem (CID 110936089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).