1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea

C17H27N5O — CID 95204025

IUPAC1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea
SMILESC=Cn1cc(CN2CC[C@H](CNC(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C17H27N5O/c1-2-22-13-15(10-19-22)12-21-8-7-14(11-21)9-18-17(23)20-16-5-3-4-6-16/h2,10,13-14,16H,1,3-9,11-12H2,(H2,18,20,23)/t14-/m1/s1
InChIKeyOUBALMXYEMVJEF-CQSZACIVSA-N
MW317.44 g/mol
LogP2.05
Rot. Bonds6

About 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea

1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea (PubChem CID 95204025) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea
PubChem CID95204025
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea
SMILESC=Cn1cc(CN2CC[C@H](CNC(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C17H27N5O/c1-2-22-13-15(10-19-22)12-21-8-7-14(11-21)9-18-17(23)20-16-5-3-4-6-16/h2,10,13-14,16H,1,3-9,11-12H2,(H2,18,20,23)/t14-/m1/s1
InChIKeyOUBALMXYEMVJEF-CQSZACIVSA-N
XLogP2.05
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

4-cyano-N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95216743
N-[[1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dimethylbenzamide
CID 56753509
N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95216045
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
1-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 95230761
2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95216925
1-[[(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 95231138
1-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 56760339
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95196955

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea (CID 95204025) is 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea is C=Cn1cc(CN2CC[C@H](CNC(=O)NC3CCCC3)C2)cn1.
What is the InChIKey of 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
The InChIKey is OUBALMXYEMVJEF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-22-13-15(10-19-22)12-21-8-7-14(11-21)9-18-17(23)20-16-5-3-4-6-16/h2,10,13-14,16H,1,3-9,11-12H2,(H2,18,20,23)/t14-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea?
1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea has a molecular weight of 317.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 95204025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).