1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone

C13H15N3O — CID 62906843

IUPAC1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H15N3O/c1-9-3-2-6-16(9)13(17)10-4-5-11-8-14-15-12(11)7-10/h4-5,7-9H,2-3,6H2,1H3,(H,14,15)
InChIKeyCVNMEXYIJLBANF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.19
Rot. Bonds1

About 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone

1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 62906843) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
PubChem CID62906843
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H15N3O/c1-9-3-2-6-16(9)13(17)10-4-5-11-8-14-15-12(11)7-10/h4-5,7-9H,2-3,6H2,1H3,(H,14,15)
InChIKeyCVNMEXYIJLBANF-UHFFFAOYSA-N
XLogP2.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-6-carboxamide
CID 83023464
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 60719171
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 103352204
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
4-(1H-indazole-6-carbonyl)thiomorpholine-3-carboxylic acid
CID 82901552

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone (CID 62906843) is 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is CVNMEXYIJLBANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-2-6-16(9)13(17)10-4-5-11-8-14-15-12(11)7-10/h4-5,7-9H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone?
1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62906843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).