1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C17H25N3O2 — CID 111976786

IUPAC1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCC1CC(NC(=O)NCc2ccccc2CO)CN1C1CC1
InChIInChI=1S/C17H25N3O2/c1-12-8-15(10-20(12)16-6-7-16)19-17(22)18-9-13-4-2-3-5-14(13)11-21/h2-5,12,15-16,21H,6-11H2,1H3,(H2,18,19,22)
InChIKeyHRJZCMORRYHDJQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.60
Rot. Bonds5

About 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 111976786) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID111976786
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCC1CC(NC(=O)NCc2ccccc2CO)CN1C1CC1
InChIInChI=1S/C17H25N3O2/c1-12-8-15(10-20(12)16-6-7-16)19-17(22)18-9-13-4-2-3-5-14(13)11-21/h2-5,12,15-16,21H,6-11H2,1H3,(H2,18,19,22)
InChIKeyHRJZCMORRYHDJQ-UHFFFAOYSA-N
XLogP1.60
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13109353
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1-(2-Hydroxy-1-phenylethyl)imidazolidin-2-one
CID 112756247
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 51126471
(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 164629382
N-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-N-[2-(2-methylprop-1-enylamino)ethyl]formamide
CID 146270434
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 52525519
1-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 52525521
1-(1-Cyclopropyl-5-methylpyrrolidin-3-yl)-3-[2-(4-fluorophenyl)-2-hydroxypropyl]urea
CID 75391104
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 86996500
1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]urea
CID 97245884
1-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]urea
CID 97245886

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 111976786) is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea is CC1CC(NC(=O)NCc2ccccc2CO)CN1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is HRJZCMORRYHDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-8-15(10-20(12)16-6-7-16)19-17(22)18-9-13-4-2-3-5-14(13)11-21/h2-5,12,15-16,21H,6-11H2,1H3,(H2,18,19,22).
What are the key properties of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 303.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111976786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).