1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

C17H24N4O2 — CID 111840718

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NCCC(O)c2ccccc2)cn1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-21-12-15(10-19-21)20-17(23)18-9-8-16(22)14-6-4-3-5-7-14/h3-7,10,12-13,16,22H,8-9,11H2,1-2H3,(H2,18,20,23)
InChIKeyRVLKQZOROVNINE-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.78
Rot. Bonds7

About 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (PubChem CID 111840718) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
PubChem CID111840718
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)NCCC(O)c2ccccc2)cn1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-21-12-15(10-19-21)20-17(23)18-9-8-16(22)14-6-4-3-5-7-14/h3-7,10,12-13,16,22H,8-9,11H2,1-2H3,(H2,18,20,23)
InChIKeyRVLKQZOROVNINE-UHFFFAOYSA-N
XLogP2.78
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475794
2-amino-N-[1-(2-methylpropyl)pyrazol-4-yl]-2-phenylacetamide
CID 119338210
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 111578950
4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122085895
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993
1-(3-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111481712
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
(2S)-2-hydroxy-4-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 107838447
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (CID 111840718) is 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is CC(C)Cn1cc(NC(=O)NCCC(O)c2ccccc2)cn1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The InChIKey is RVLKQZOROVNINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)11-21-12-15(10-19-21)20-17(23)18-9-8-16(22)14-6-4-3-5-7-14/h3-7,10,12-13,16,22H,8-9,11H2,1-2H3,(H2,18,20,23).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea has a molecular weight of 316.40 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is sourced from PubChem (CID 111840718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).