(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone

C16H21N3O — CID 59744849

IUPAC(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone
SMILESCCCCC1(C(=O)c2ccc3[nH]ncc3c2)CCNC1
InChIInChI=1S/C16H21N3O/c1-2-3-6-16(7-8-17-11-16)15(20)12-4-5-14-13(9-12)10-18-19-14/h4-5,9-10,17H,2-3,6-8,11H2,1H3,(H,18,19)
InChIKeyLVSIELCJLBNXMT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds5

About (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone

(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone (PubChem CID 59744849) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone
PubChem CID59744849
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone
SMILESCCCCC1(C(=O)c2ccc3[nH]ncc3c2)CCNC1
InChIInChI=1S/C16H21N3O/c1-2-3-6-16(7-8-17-11-16)15(20)12-4-5-14-13(9-12)10-18-19-14/h4-5,9-10,17H,2-3,6-8,11H2,1H3,(H,18,19)
InChIKeyLVSIELCJLBNXMT-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 95018921
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
(3,4-dichlorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744722
[(3S)-3-butylpyrrolidin-3-yl]-(4,5-dichlorothiophen-2-yl)methanone
CID 59744780
[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]-(1H-indol-5-yl)methanone
CID 59744791
1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone
CID 59744832
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
N-methyl-1H-indazole-5-carboxamide
CID 22934041
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 116570190
(3,4-dichlorophenyl)-[(3S)-3-(3-methylbutyl)pyrrolidin-3-yl]methanone
CID 59744763

Frequently Asked Questions

What is the IUPAC name of (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone?
The IUPAC name of (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone (CID 59744849) is (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone.
What is the SMILES notation for (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone?
The canonical SMILES for (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone is CCCCC1(C(=O)c2ccc3[nH]ncc3c2)CCNC1.
What is the InChIKey of (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone?
The InChIKey is LVSIELCJLBNXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-3-6-16(7-8-17-11-16)15(20)12-4-5-14-13(9-12)10-18-19-14/h4-5,9-10,17H,2-3,6-8,11H2,1H3,(H,18,19).
What are the key properties of (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone?
(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 59744849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).