1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea

C13H16N4O2 — CID 110895797

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NC(CO)c1ccccc1
InChIInChI=1S/C13H16N4O2/c18-9-12(10-4-2-1-3-5-10)16-13(19)14-8-11-6-7-15-17-11/h1-7,12,18H,8-9H2,(H,15,17)(H2,14,16,19)
InChIKeyXHYDEQKRHBQWBT-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.94
Rot. Bonds5

About 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea

1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 110895797) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID110895797
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)NC(CO)c1ccccc1
InChIInChI=1S/C13H16N4O2/c18-9-12(10-4-2-1-3-5-10)16-13(19)14-8-11-6-7-15-17-11/h1-7,12,18H,8-9H2,(H,15,17)(H2,14,16,19)
InChIKeyXHYDEQKRHBQWBT-UHFFFAOYSA-N
XLogP0.94
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 113356359
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 63182762
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95152555
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
CID 51084990
2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 51099897
(2S)-2-phenyl-N-(1H-pyrazol-5-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 94819164
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517881

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea (CID 110895797) is 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea is O=C(NCc1ccn[nH]1)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is XHYDEQKRHBQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-9-12(10-4-2-1-3-5-10)16-13(19)14-8-11-6-7-15-17-11/h1-7,12,18H,8-9H2,(H,15,17)(H2,14,16,19).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 260.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 110895797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).