1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone

C13H16N4O — CID 81465787

IUPAC1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H16N4O/c1-14-9-6-7-17(8-9)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9,14H,6-8H2,1H3,(H,15,16)
InChIKeyPPMNCBBZDFPKEF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.00
Rot. Bonds2

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

1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 81465787) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID81465787
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H16N4O/c1-14-9-6-7-17(8-9)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9,14H,6-8H2,1H3,(H,15,16)
InChIKeyPPMNCBBZDFPKEF-UHFFFAOYSA-N
XLogP1.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-3-(methylamino)piperidine-1-carbonyl]-1H-cinnolin-4-one
CID 124575581
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776562
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 81465787) is 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone is CNC1CCN(C(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is PPMNCBBZDFPKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-14-9-6-7-17(8-9)13(18)12-10-4-2-3-5-11(10)15-16-12/h2-5,9,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone?
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 244.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 81465787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).