1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane

C16H22N4O — CID 67338966

IUPAC1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@H]1CC2.NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H7N3O.C8H15N/c9-8(12)7-5-3-1-2-4-6(5)10-11-7;1-9-7-3-2-4-8(9)6-5-7/h1-4H,(H2,9,12)(H,10,11);7-8H,2-6H2,1H3/t;7-,8+
InChIKeyPSCSFYNRJRAGRO-YIEIKVQRSA-N
MW286.38 g/mol
LogP2.29
Rot. Bonds1

About 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane

1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 67338966) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID67338966
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@H]1CC2.NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H7N3O.C8H15N/c9-8(12)7-5-3-1-2-4-6(5)10-11-7;1-9-7-3-2-4-8(9)6-5-7/h1-4H,(H2,9,12)(H,10,11);7-8H,2-6H2,1H3/t;7-,8+
InChIKeyPSCSFYNRJRAGRO-YIEIKVQRSA-N
XLogP2.29
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11630786
1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681223
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 59749066
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-3-carboxamide
CID 78974865
formic acid;1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681222
N-(furan-2-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 68618356
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
1-(1H-indazol-3-yl)ethanone
CID 15684169
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7649546

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane (CID 67338966) is 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CCC[C@H]1CC2.NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is PSCSFYNRJRAGRO-YIEIKVQRSA-N. The full InChI is InChI=1S/C8H7N3O.C8H15N/c9-8(12)7-5-3-1-2-4-6(5)10-11-7;1-9-7-3-2-4-8(9)6-5-7/h1-4H,(H2,9,12)(H,10,11);7-8H,2-6H2,1H3/t;7-,8+.
What are the key properties of 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 286.38 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67338966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).