azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

C12H17N3O — CID 166254151

IUPACazetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCC1c2cn[nH]c2CCC1C(=O)N1CCC1
InChIInChI=1S/C12H17N3O/c1-8-9(12(16)15-5-2-6-15)3-4-11-10(8)7-13-14-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyGCHFIDBRZIJKOD-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds1

About azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (PubChem CID 166254151) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
PubChem CID166254151
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Nameazetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESCC1c2cn[nH]c2CCC1C(=O)N1CCC1
InChIInChI=1S/C12H17N3O/c1-8-9(12(16)15-5-2-6-15)3-4-11-10(8)7-13-14-11/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyGCHFIDBRZIJKOD-UHFFFAOYSA-N
XLogP1.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166254381
piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride
CID 119402457
2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]azepin-3-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 155961845
N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
CID 97223994
N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide
CID 166250876
cis-(1S,2R)-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167872863
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 131963475
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
CID 174351058
[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-yl)methanone
CID 139020528

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The IUPAC name of azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (CID 166254151) is azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The canonical SMILES for azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is CC1c2cn[nH]c2CCC1C(=O)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The InChIKey is GCHFIDBRZIJKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-9(12(16)15-5-2-6-15)3-4-11-10(8)7-13-14-11/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is sourced from PubChem (CID 166254151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).