1-[(3-propan-2-ylcyclohexyl)methyl]indazole

C17H24N2 — CID 171430317

IUPAC1-[(3-propan-2-ylcyclohexyl)methyl]indazole
SMILESCC(C)C1CCCC(Cn2ncc3ccccc32)C1
InChIInChI=1S/C17H24N2/c1-13(2)15-8-5-6-14(10-15)12-19-17-9-4-3-7-16(17)11-18-19/h3-4,7,9,11,13-15H,5-6,8,10,12H2,1-2H3
InChIKeyIPTIXODSUBGMQL-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.50
Rot. Bonds3

About 1-[(3-propan-2-ylcyclohexyl)methyl]indazole

1-[(3-propan-2-ylcyclohexyl)methyl]indazole (PubChem CID 171430317) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(3-propan-2-ylcyclohexyl)methyl]indazole.

Molecular Properties

Compound Name1-[(3-propan-2-ylcyclohexyl)methyl]indazole
PubChem CID171430317
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-[(3-propan-2-ylcyclohexyl)methyl]indazole
SMILESCC(C)C1CCCC(Cn2ncc3ccccc32)C1
InChIInChI=1S/C17H24N2/c1-13(2)15-8-5-6-14(10-15)12-19-17-9-4-3-7-16(17)11-18-19/h3-4,7,9,11,13-15H,5-6,8,10,12H2,1-2H3
InChIKeyIPTIXODSUBGMQL-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-ylcyclohexyl)methyl]indazole?
The IUPAC name of 1-[(3-propan-2-ylcyclohexyl)methyl]indazole (CID 171430317) is 1-[(3-propan-2-ylcyclohexyl)methyl]indazole.
What is the SMILES notation for 1-[(3-propan-2-ylcyclohexyl)methyl]indazole?
The canonical SMILES for 1-[(3-propan-2-ylcyclohexyl)methyl]indazole is CC(C)C1CCCC(Cn2ncc3ccccc32)C1.
What is the InChIKey of 1-[(3-propan-2-ylcyclohexyl)methyl]indazole?
The InChIKey is IPTIXODSUBGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)15-8-5-6-14(10-15)12-19-17-9-4-3-7-16(17)11-18-19/h3-4,7,9,11,13-15H,5-6,8,10,12H2,1-2H3.
What are the key properties of 1-[(3-propan-2-ylcyclohexyl)methyl]indazole?
1-[(3-propan-2-ylcyclohexyl)methyl]indazole has a molecular weight of 256.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-ylcyclohexyl)methyl]indazole is sourced from PubChem (CID 171430317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).