1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C16H22N4O2 — CID 99702012

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCCc1cc(NC(=O)N[C@H](CO)Cc2ccccc2)n(C)n1
InChIInChI=1S/C16H22N4O2/c1-3-13-10-15(20(2)19-13)18-16(22)17-14(11-21)9-12-7-5-4-6-8-12/h4-8,10,14,21H,3,9,11H2,1-2H3,(H2,17,18,22)/t14-/m0/s1
InChIKeyXZXANWXSSKFZJB-AWEZNQCLSA-N
MW302.38 g/mol
LogP1.71
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 99702012) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
PubChem CID99702012
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCCc1cc(NC(=O)N[C@H](CO)Cc2ccccc2)n(C)n1
InChIInChI=1S/C16H22N4O2/c1-3-13-10-15(20(2)19-13)18-16(22)17-14(11-21)9-12-7-5-4-6-8-12/h4-8,10,14,21H,3,9,11H2,1-2H3,(H2,17,18,22)/t14-/m0/s1
InChIKeyXZXANWXSSKFZJB-AWEZNQCLSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
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CID 97261191
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
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1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 99702012) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is CCc1cc(NC(=O)N[C@H](CO)Cc2ccccc2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The InChIKey is XZXANWXSSKFZJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-13-10-15(20(2)19-13)18-16(22)17-14(11-21)9-12-7-5-4-6-8-12/h4-8,10,14,21H,3,9,11H2,1-2H3,(H2,17,18,22)/t14-/m0/s1.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 302.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 99702012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).