[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

C17H23N3O2 — CID 71837201

IUPAC[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCCCC1(CO)CCCN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-3-9-17(12-21)10-6-11-20(17)16(22)15-13-7-4-5-8-14(13)19(2)18-15/h4-5,7-8,21H,3,6,9-12H2,1-2H3
InChIKeyCDSQYMKFLXEGBG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.34
Rot. Bonds4

About [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 71837201) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID71837201
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCCCC1(CO)CCCN1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-3-9-17(12-21)10-6-11-20(17)16(22)15-13-7-4-5-8-14(13)19(2)18-15/h4-5,7-8,21H,3,6,9-12H2,1-2H3
InChIKeyCDSQYMKFLXEGBG-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 71837201) is [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is CCCC1(CO)CCCN1C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is CDSQYMKFLXEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-9-17(12-21)10-6-11-20(17)16(22)15-13-7-4-5-8-14(13)19(2)18-15/h4-5,7-8,21H,3,6,9-12H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone?
[2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 301.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-propylpyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 71837201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).