3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

C15H20ClN3O — CID 18447223

IUPAC3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCc1c(OC2CCCC(N)C2)c(Cl)c2cn[nH]c2c1C
InChIInChI=1S/C15H20ClN3O/c1-8-9(2)15(13(16)12-7-18-19-14(8)12)20-11-5-3-4-10(17)6-11/h7,10-11H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyKWNUHVCVAGLIKL-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.48
Rot. Bonds2

About 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine

3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (PubChem CID 18447223) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
PubChem CID18447223
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
SMILESCc1c(OC2CCCC(N)C2)c(Cl)c2cn[nH]c2c1C
InChIInChI=1S/C15H20ClN3O/c1-8-9(2)15(13(16)12-7-18-19-14(8)12)20-11-5-3-4-10(17)6-11/h7,10-11H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyKWNUHVCVAGLIKL-UHFFFAOYSA-N
XLogP3.48
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(4-ethylsulfanyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69434428
[(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]cyclohexyl]methanamine
CID 69432427
3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465530
3-(5,6-dimethylpyrazin-2-yl)oxycyclohexan-1-amine
CID 114477112
3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 79465841
3-(6-methoxypyrazin-2-yl)oxycyclohexan-1-amine
CID 79465847
3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 79465425
3-[(4-morpholin-4-yl-1H-indazol-5-yl)oxy]cyclohexan-1-amine
CID 69430792
3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 103583993
3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465433
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine
CID 114787607
cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine
CID 69436428

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine (CID 18447223) is 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is Cc1c(OC2CCCC(N)C2)c(Cl)c2cn[nH]c2c1C.
What is the InChIKey of 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
The InChIKey is KWNUHVCVAGLIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-8-9(2)15(13(16)12-7-18-19-14(8)12)20-11-5-3-4-10(17)6-11/h7,10-11H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine?
3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6,7-dimethyl-1H-indazol-5-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 18447223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).