1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea

C16H23N3O2 — CID 111572950

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESO=C(NCC1(CO)CC1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H23N3O2/c20-12-16(7-8-16)11-17-15(21)18-13-5-1-2-6-14(13)19-9-3-4-10-19/h1-2,5-6,20H,3-4,7-12H2,(H2,17,18,21)
InChIKeyKSPLQYXQNMUQBF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.18
Rot. Bonds5

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea (PubChem CID 111572950) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
PubChem CID111572950
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESO=C(NCC1(CO)CC1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H23N3O2/c20-12-16(7-8-16)11-17-15(21)18-13-5-1-2-6-14(13)19-9-3-4-10-19/h1-2,5-6,20H,3-4,7-12H2,(H2,17,18,21)
InChIKeyKSPLQYXQNMUQBF-UHFFFAOYSA-N
XLogP2.18
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(hydroxymethyl)cyclopentyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111925888
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
1-[2-(azepan-1-yl)phenyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925944
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478327
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-[(1-hydroxycyclohexyl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72914253
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea (CID 111572950) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea is O=C(NCC1(CO)CC1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is KSPLQYXQNMUQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-12-16(7-8-16)11-17-15(21)18-13-5-1-2-6-14(13)19-9-3-4-10-19/h1-2,5-6,20H,3-4,7-12H2,(H2,17,18,21).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 289.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 111572950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).