1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea

C17H28N4O2 — CID 71808441

IUPAC1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C17H28N4O2/c1-23-11-10-18-17(22)19-12-15-14-8-4-5-9-16(14)21(20-15)13-6-2-3-7-13/h13H,2-12H2,1H3,(H2,18,19,22)
InChIKeyPMUPZWFUPJASME-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.32
Rot. Bonds6

About 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea

1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea (PubChem CID 71808441) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea
PubChem CID71808441
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C17H28N4O2/c1-23-11-10-18-17(22)19-12-15-14-8-4-5-9-16(14)21(20-15)13-6-2-3-7-13/h13H,2-12H2,1H3,(H2,18,19,22)
InChIKeyPMUPZWFUPJASME-UHFFFAOYSA-N
XLogP2.32
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea (CID 71808441) is 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
The InChIKey is PMUPZWFUPJASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-23-11-10-18-17(22)19-12-15-14-8-4-5-9-16(14)21(20-15)13-6-2-3-7-13/h13H,2-12H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea?
1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea has a molecular weight of 320.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 71808441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).