[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

C14H18N4O — CID 103121000

IUPAC[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCNC1CCN(C(=O)c2nn(C)c3ccccc23)C1
InChIInChI=1S/C14H18N4O/c1-15-10-7-8-18(9-10)14(19)13-11-5-3-4-6-12(11)17(2)16-13/h3-6,10,15H,7-9H2,1-2H3
InChIKeyUDHJSGFNCZQVML-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds2

About [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 103121000) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID103121000
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCNC1CCN(C(=O)c2nn(C)c3ccccc23)C1
InChIInChI=1S/C14H18N4O/c1-15-10-7-8-18(9-10)14(19)13-11-5-3-4-6-12(11)17(2)16-13/h3-6,10,15H,7-9H2,1-2H3
InChIKeyUDHJSGFNCZQVML-UHFFFAOYSA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91910006
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
(1-methylindazol-3-yl)-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019723
(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 110203679

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 103121000) is [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is CNC1CCN(C(=O)c2nn(C)c3ccccc23)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is UDHJSGFNCZQVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-10-7-8-18(9-10)14(19)13-11-5-3-4-6-12(11)17(2)16-13/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103121000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).