1-(1-methylindazol-5-yl)pyrrolidin-3-ol

C12H15N3O — CID 151995234

IUPAC1-(1-methylindazol-5-yl)pyrrolidin-3-ol
SMILESCn1ncc2cc(N3CCC(O)C3)ccc21
InChIInChI=1S/C12H15N3O/c1-14-12-3-2-10(6-9(12)7-13-14)15-5-4-11(16)8-15/h2-3,6-7,11,16H,4-5,8H2,1H3
InChIKeyUFNDTJQTBGMIHR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.14
Rot. Bonds1

About 1-(1-methylindazol-5-yl)pyrrolidin-3-ol

1-(1-methylindazol-5-yl)pyrrolidin-3-ol (PubChem CID 151995234) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(1-methylindazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-methylindazol-5-yl)pyrrolidin-3-ol
PubChem CID151995234
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(1-methylindazol-5-yl)pyrrolidin-3-ol
SMILESCn1ncc2cc(N3CCC(O)C3)ccc21
InChIInChI=1S/C12H15N3O/c1-14-12-3-2-10(6-9(12)7-13-14)15-5-4-11(16)8-15/h2-3,6-7,11,16H,4-5,8H2,1H3
InChIKeyUFNDTJQTBGMIHR-UHFFFAOYSA-N
XLogP1.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-methylindazol-5-yl)pyrrolidin-3-ol (CID 151995234) is 1-(1-methylindazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-methylindazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-methylindazol-5-yl)pyrrolidin-3-ol is Cn1ncc2cc(N3CCC(O)C3)ccc21.
What is the InChIKey of 1-(1-methylindazol-5-yl)pyrrolidin-3-ol?
The InChIKey is UFNDTJQTBGMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14-12-3-2-10(6-9(12)7-13-14)15-5-4-11(16)8-15/h2-3,6-7,11,16H,4-5,8H2,1H3.
What are the key properties of 1-(1-methylindazol-5-yl)pyrrolidin-3-ol?
1-(1-methylindazol-5-yl)pyrrolidin-3-ol has a molecular weight of 217.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 151995234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).