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

C14H23N3O — CID 43254573

IUPAC4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
SMILESCn1ncc2c1CCCC2NC1CCC(O)CC1
InChIInChI=1S/C14H23N3O/c1-17-14-4-2-3-13(12(14)9-15-17)16-10-5-7-11(18)8-6-10/h9-11,13,16,18H,2-8H2,1H3
InChIKeyGOXODWKMNPUWNA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds2

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

4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol (PubChem CID 43254573) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
PubChem CID43254573
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
SMILESCn1ncc2c1CCCC2NC1CCC(O)CC1
InChIInChI=1S/C14H23N3O/c1-17-14-4-2-3-13(12(14)9-15-17)16-10-5-7-11(18)8-6-10/h9-11,13,16,18H,2-8H2,1H3
InChIKeyGOXODWKMNPUWNA-UHFFFAOYSA-N
XLogP1.69
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol (CID 43254573) is 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol is Cn1ncc2c1CCCC2NC1CCC(O)CC1.
What is the InChIKey of 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
The InChIKey is GOXODWKMNPUWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17-14-4-2-3-13(12(14)9-15-17)16-10-5-7-11(18)8-6-10/h9-11,13,16,18H,2-8H2,1H3.
What are the key properties of 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43254573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).