3-(1-adamantyl)-2H-indazole

C17H20N2 — CID 118536032

IUPAC3-(1-adamantyl)-2H-indazole
SMILESc1ccc2c(C34CC5CC(CC(C5)C3)C4)[nH]nc2c1
InChIInChI=1S/C17H20N2/c1-2-4-15-14(3-1)16(19-18-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,19)
InChIKeyGBHQLUIFRPUISG-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.03
Rot. Bonds1

About 3-(1-adamantyl)-2H-indazole

3-(1-adamantyl)-2H-indazole (PubChem CID 118536032) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(1-adamantyl)-2H-indazole.

Molecular Properties

Compound Name3-(1-adamantyl)-2H-indazole
PubChem CID118536032
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-(1-adamantyl)-2H-indazole
SMILESc1ccc2c(C34CC5CC(CC(C5)C3)C4)[nH]nc2c1
InChIInChI=1S/C17H20N2/c1-2-4-15-14(3-1)16(19-18-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,19)
InChIKeyGBHQLUIFRPUISG-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylthietan-2-yl)-2H-indazole
CID 163633668
3-(1-methylcyclononyl)-2H-indazole
CID 173176803
2-[[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 137153641
[1-(2H-indazol-3-yl)cyclopentyl]methanamine
CID 82613671
1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 4920926
2-(1-adamantyl)quinoline
CID 3122842
2-(1-adamantyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-benzoxazole
CID 176871958
6,9-bis(1-adamantyl)-8-fluorophenanthridine
CID 154722085
5-(1-adamantyl)-1H-pyrazole
CID 503298
5-[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]-2-chloroaniline
CID 82569499
5-(1-adamantyl)-2H-benzotriazole
CID 91679573
2-(1-adamantyl)benzene-1,3-diol
CID 22754692

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-2H-indazole?
The IUPAC name of 3-(1-adamantyl)-2H-indazole (CID 118536032) is 3-(1-adamantyl)-2H-indazole.
What is the SMILES notation for 3-(1-adamantyl)-2H-indazole?
The canonical SMILES for 3-(1-adamantyl)-2H-indazole is c1ccc2c(C34CC5CC(CC(C5)C3)C4)[nH]nc2c1.
What is the InChIKey of 3-(1-adamantyl)-2H-indazole?
The InChIKey is GBHQLUIFRPUISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-4-15-14(3-1)16(19-18-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,19).
What are the key properties of 3-(1-adamantyl)-2H-indazole?
3-(1-adamantyl)-2H-indazole has a molecular weight of 252.36 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-2H-indazole is sourced from PubChem (CID 118536032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).