1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

C19H28N4O2 — CID 111482812

IUPAC1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-13(10-18-14(2)22-23(4)15(18)3)21-19(25)20-12-17(24)11-16-8-6-5-7-9-16/h5-9,13,17,24H,10-12H2,1-4H3,(H2,20,21,25)
InChIKeyCSCWYQCJOPKRDD-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.87
Rot. Bonds7

About 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea

1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (PubChem CID 111482812) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
PubChem CID111482812
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C19H28N4O2/c1-13(10-18-14(2)22-23(4)15(18)3)21-19(25)20-12-17(24)11-16-8-6-5-7-9-16/h5-9,13,17,24H,10-12H2,1-4H3,(H2,20,21,25)
InChIKeyCSCWYQCJOPKRDD-UHFFFAOYSA-N
XLogP1.87
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 111508005
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 75390009
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
1-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065175
1-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065174
1-[2-(2-methylphenyl)cyclopropyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 84585038
1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672
2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 63012316
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71992274
2-benzyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119233623

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea (CID 111482812) is 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is Cc1nn(C)c(C)c1CC(C)NC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
The InChIKey is CSCWYQCJOPKRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(10-18-14(2)22-23(4)15(18)3)21-19(25)20-12-17(24)11-16-8-6-5-7-9-16/h5-9,13,17,24H,10-12H2,1-4H3,(H2,20,21,25).
What are the key properties of 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea?
1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea has a molecular weight of 344.46 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-phenylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 111482812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).