1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea

C15H26N4O2 — CID 71850192

IUPAC1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCCOCCC1(CNC(=O)Nc2ccn(C)n2)CCCC1
InChIInChI=1S/C15H26N4O2/c1-3-21-11-9-15(7-4-5-8-15)12-16-14(20)17-13-6-10-19(2)18-13/h6,10H,3-5,7-9,11-12H2,1-2H3,(H2,16,17,18,20)
InChIKeyCJSWBZJVJNFFOT-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.53
Rot. Bonds7

About 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea

1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 71850192) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID71850192
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCCOCCC1(CNC(=O)Nc2ccn(C)n2)CCCC1
InChIInChI=1S/C15H26N4O2/c1-3-21-11-9-15(7-4-5-8-15)12-16-14(20)17-13-6-10-19(2)18-13/h6,10H,3-5,7-9,11-12H2,1-2H3,(H2,16,17,18,20)
InChIKeyCJSWBZJVJNFFOT-UHFFFAOYSA-N
XLogP2.53
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-Dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71992405
1-[1-(3-cyanopropyl)pyrazol-3-yl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97788506
1-(2-methylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97881312
1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 99707593
1-(3-Ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 102559032
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-(1-propan-2-ylpyrazol-3-yl)urea
CID 137994335
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
CID 71924041
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 96483439
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 96483440
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 96483441
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 96483442
N-(2-propylpyrazol-3-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 137878348

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea (CID 71850192) is 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea is CCOCCC1(CNC(=O)Nc2ccn(C)n2)CCCC1.
What is the InChIKey of 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is CJSWBZJVJNFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-21-11-9-15(7-4-5-8-15)12-16-14(20)17-13-6-10-19(2)18-13/h6,10H,3-5,7-9,11-12H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea?
1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 71850192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).