1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

C13H20N4O2 — CID 167954670

IUPAC1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCn1cc2c(n1)CCCC2NC(=O)NOC1CCC1
InChIInChI=1S/C13H20N4O2/c1-17-8-10-11(6-3-7-12(10)15-17)14-13(18)16-19-9-4-2-5-9/h8-9,11H,2-7H2,1H3,(H2,14,16,18)
InChIKeyKQKSOXCAXJMBFG-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.58
Rot. Bonds3

About 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (PubChem CID 167954670) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.

Molecular Properties

Compound Name1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
PubChem CID167954670
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCn1cc2c(n1)CCCC2NC(=O)NOC1CCC1
InChIInChI=1S/C13H20N4O2/c1-17-8-10-11(6-3-7-12(10)15-17)14-13(18)16-19-9-4-2-5-9/h8-9,11H,2-7H2,1H3,(H2,14,16,18)
InChIKeyKQKSOXCAXJMBFG-UHFFFAOYSA-N
XLogP1.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(4-sulfamoylphenyl)urea
CID 136540795
4-amino-3,5-dichloro-N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 124874994
2,5-dimethyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)morpholine-4-carboxamide
CID 136541064
4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 119038060
(5R)-5-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 124730260
N-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 100746456
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124855059
1-[(2R)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 124849739
(2R)-2-(3,4-difluorophenoxy)-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 100746402
(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638267
(2R)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638279
(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 129353398

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The IUPAC name of 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (CID 167954670) is 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.
What is the SMILES notation for 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The canonical SMILES for 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is Cn1cc2c(n1)CCCC2NC(=O)NOC1CCC1.
What is the InChIKey of 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The InChIKey is KQKSOXCAXJMBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17-8-10-11(6-3-7-12(10)15-17)14-13(18)16-19-9-4-2-5-9/h8-9,11H,2-7H2,1H3,(H2,14,16,18).
What are the key properties of 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea has a molecular weight of 264.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-3-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is sourced from PubChem (CID 167954670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).