2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol

C14H25N3O — CID 103905391

IUPAC2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
SMILESCC(CO)CCCNC1CCCc2c1cnn2C
InChIInChI=1S/C14H25N3O/c1-11(10-18)5-4-8-15-13-6-3-7-14-12(13)9-16-17(14)2/h9,11,13,15,18H,3-8,10H2,1-2H3
InChIKeyNJXYMXPCSWQTAK-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.80
Rot. Bonds6

About 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol

2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol (PubChem CID 103905391) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
PubChem CID103905391
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
SMILESCC(CO)CCCNC1CCCc2c1cnn2C
InChIInChI=1S/C14H25N3O/c1-11(10-18)5-4-8-15-13-6-3-7-14-12(13)9-16-17(14)2/h9,11,13,15,18H,3-8,10H2,1-2H3
InChIKeyNJXYMXPCSWQTAK-UHFFFAOYSA-N
XLogP1.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol with MolForge

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Related Compounds

1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 75480822
2-(4-amino-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 43810753
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
1-(Cyclohexylmethyl)-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53519911
1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 45791492
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine dihydrochloride
CID 54594814
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 54594815
(1-methyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)methanol
CID 178199937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol (CID 103905391) is 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol is CC(CO)CCCNC1CCCc2c1cnn2C.
What is the InChIKey of 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
The InChIKey is NJXYMXPCSWQTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(10-18)5-4-8-15-13-6-3-7-14-12(13)9-16-17(14)2/h9,11,13,15,18H,3-8,10H2,1-2H3.
What are the key properties of 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 103905391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).