1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea

C15H20N4O2 — CID 91661830

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H20N4O2/c1-19-14(7-8-17-19)10-16-15(21)18-13(11-20)9-12-5-3-2-4-6-12/h2-8,13,20H,9-11H2,1H3,(H2,16,18,21)/t13-/m0/s1
InChIKeyBUCMWCFFWKJGBY-ZDUSSCGKSA-N
MW288.35 g/mol
LogP0.82
Rot. Bonds6

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 91661830) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID91661830
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H20N4O2/c1-19-14(7-8-17-19)10-16-15(21)18-13(11-20)9-12-5-3-2-4-6-12/h2-8,13,20H,9-11H2,1H3,(H2,16,18,21)/t13-/m0/s1
InChIKeyBUCMWCFFWKJGBY-ZDUSSCGKSA-N
XLogP0.82
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 96543810
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 99635583
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 75521844
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 63303976
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 91661830) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CNC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is BUCMWCFFWKJGBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19-14(7-8-17-19)10-16-15(21)18-13(11-20)9-12-5-3-2-4-6-12/h2-8,13,20H,9-11H2,1H3,(H2,16,18,21)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 288.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 91661830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).