(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone

C13H15N3O — CID 110848618

IUPAC(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C13H15N3O/c1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyFYPNZORZIVSXEF-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.81
Rot. Bonds1

About (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone

(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 110848618) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID110848618
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C13H15N3O/c1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyFYPNZORZIVSXEF-UHFFFAOYSA-N
XLogP1.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
(1-bromoindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 123818854
1-[3-(piperidine-1-carbonyl)indazol-1-yl]ethanone
CID 15268068
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
CID 177135035
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
[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
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
1-piperidin-1-yl-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]ethanone
CID 46378636

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone (CID 110848618) is (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone is Cn1nc(C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is FYPNZORZIVSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone?
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 229.28 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110848618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).