(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone

C14H17N3O — CID 79038789

IUPAC(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
SMILESCC1CN(C(=O)c2ccc3cn[nH]c3c2)CC1C
InChIInChI=1S/C14H17N3O/c1-9-7-17(8-10(9)2)14(18)11-3-4-12-6-15-16-13(12)5-11/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyATVHDLDJTGPTTH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.29
Rot. Bonds1

About (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone

(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone (PubChem CID 79038789) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
PubChem CID79038789
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
SMILESCC1CN(C(=O)c2ccc3cn[nH]c3c2)CC1C
InChIInChI=1S/C14H17N3O/c1-9-7-17(8-10(9)2)14(18)11-3-4-12-6-15-16-13(12)5-11/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChIKeyATVHDLDJTGPTTH-UHFFFAOYSA-N
XLogP2.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
CID 64604399
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
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-methylpyrrolidin-1-yl)methanone
CID 62906843
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 103357503
1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 60719171
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone (CID 79038789) is (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone is CC1CN(C(=O)c2ccc3cn[nH]c3c2)CC1C.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
The InChIKey is ATVHDLDJTGPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-7-17(8-10(9)2)14(18)11-3-4-12-6-15-16-13(12)5-11/h3-6,9-10H,7-8H2,1-2H3,(H,15,16).
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone is sourced from PubChem (CID 79038789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).