3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol

C14H23N3O — CID 43751424

IUPAC3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
SMILESCn1ncc2c1CCCC2NC1CCCC(O)C1
InChIInChI=1S/C14H23N3O/c1-17-14-7-3-6-13(12(14)9-15-17)16-10-4-2-5-11(18)8-10/h9-11,13,16,18H,2-8H2,1H3
InChIKeyRMEKLQUFDSZDLH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds2

About 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol

3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol (PubChem CID 43751424) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
PubChem CID43751424
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
SMILESCn1ncc2c1CCCC2NC1CCCC(O)C1
InChIInChI=1S/C14H23N3O/c1-17-14-7-3-6-13(12(14)9-15-17)16-10-4-2-5-11(18)8-10/h9-11,13,16,18H,2-8H2,1H3
InChIKeyRMEKLQUFDSZDLH-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

Analyze 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

1-methyl-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43317523
N-(3-methoxycyclopentyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103082859
N-(1,5-dimethylpyrrolidin-3-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81297409
N-(3-ethoxycyclobutyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 112553059
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43730478
1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43435437
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclopentane-1-carbonitrile
CID 62962746
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727362
1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 79957211
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol (CID 43751424) is 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol is Cn1ncc2c1CCCC2NC1CCCC(O)C1.
What is the InChIKey of 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
The InChIKey is RMEKLQUFDSZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17-14-7-3-6-13(12(14)9-15-17)16-10-4-2-5-11(18)8-10/h9-11,13,16,18H,2-8H2,1H3.
What are the key properties of 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol?
3-[(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 3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43751424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).