[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

C17H23N3O — CID 49049226

IUPAC[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCC(C)(C)CC1CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-17(2,3)11-12-7-6-10-20(12)16(21)15-13-8-4-5-9-14(13)18-19-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyBXYHUTFEZFCDHC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds2

About [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 49049226) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID49049226
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCC(C)(C)CC1CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H23N3O/c1-17(2,3)11-12-7-6-10-20(12)16(21)15-13-8-4-5-9-14(13)18-19-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,19)
InChIKeyBXYHUTFEZFCDHC-UHFFFAOYSA-N
XLogP3.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
1H-indazol-3-yl-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 42946266
1H-indazol-3-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 77079275
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 115963335
1H-indazol-3-yl-(3-methyl-1,4-oxazepan-4-yl)methanone
CID 146091978
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1H-indazol-3-yl)methanone
CID 43594809

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone (CID 49049226) is [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is CC(C)(C)CC1CCCN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is BXYHUTFEZFCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)11-12-7-6-10-20(12)16(21)15-13-8-4-5-9-14(13)18-19-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone?
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 49049226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).