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

C14H25N3O — CID 61245676

IUPAC4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCCc2c1cnn2C
InChIInChI=1S/C14H25N3O/c1-10(2)7-11(9-18)16-13-5-4-6-14-12(13)8-15-17(14)3/h8,10-11,13,16,18H,4-7,9H2,1-3H3
InChIKeyMIHBSUKVECTUIQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.79
Rot. Bonds5

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

4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol (PubChem CID 61245676) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
PubChem CID61245676
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCCc2c1cnn2C
InChIInChI=1S/C14H25N3O/c1-10(2)7-11(9-18)16-13-5-4-6-14-12(13)8-15-17(14)3/h8,10-11,13,16,18H,4-7,9H2,1-3H3
InChIKeyMIHBSUKVECTUIQ-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol (CID 61245676) is 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol is CC(C)CC(CO)NC1CCCc2c1cnn2C.
What is the InChIKey of 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
The InChIKey is MIHBSUKVECTUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)7-11(9-18)16-13-5-4-6-14-12(13)8-15-17(14)3/h8,10-11,13,16,18H,4-7,9H2,1-3H3.
What are the key properties of 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol?
4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 61245676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).