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

C19H20N4O2 — CID 111103626

IUPAC1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-14-17(16-9-5-2-6-10-16)20-19(25)21-18-11-12-23(22-18)13-15-7-3-1-4-8-15/h1-12,17,24H,13-14H2,(H2,20,21,22,25)/t17-/m1/s1
InChIKeyQOPVGUPJXNLZHG-QGZVFWFLSA-N
MW336.39 g/mol
LogP2.79
Rot. Bonds6

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

1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 111103626) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID111103626
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C19H20N4O2/c24-14-17(16-9-5-2-6-10-16)20-19(25)21-18-11-12-23(22-18)13-15-7-3-1-4-8-15/h1-12,17,24H,13-14H2,(H2,20,21,22,25)/t17-/m1/s1
InChIKeyQOPVGUPJXNLZHG-QGZVFWFLSA-N
XLogP2.79
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475375
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
3-(1-benzylpyrazol-3-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 111453132
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
1-(3-phenoxybutan-2-yl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166231337
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 75503769
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 111103626) is 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea is O=C(Nc1ccn(Cc2ccccc2)n1)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is QOPVGUPJXNLZHG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-14-17(16-9-5-2-6-10-16)20-19(25)21-18-11-12-23(22-18)13-15-7-3-1-4-8-15/h1-12,17,24H,13-14H2,(H2,20,21,22,25)/t17-/m1/s1.
What are the key properties of 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 336.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-3-yl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 111103626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).