(1-cyclopentyl-3-ethylindazol-6-yl)methanediol

C15H20N2O2 — CID 57438282

IUPAC(1-cyclopentyl-3-ethylindazol-6-yl)methanediol
SMILESCCc1nn(C2CCCC2)c2cc(C(O)O)ccc12
InChIInChI=1S/C15H20N2O2/c1-2-13-12-8-7-10(15(18)19)9-14(12)17(16-13)11-5-3-4-6-11/h7-9,11,15,18-19H,2-6H2,1H3
InChIKeyRIIKHZPHGATQLJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.70
Rot. Bonds3

About (1-cyclopentyl-3-ethylindazol-6-yl)methanediol

(1-cyclopentyl-3-ethylindazol-6-yl)methanediol (PubChem CID 57438282) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1-cyclopentyl-3-ethylindazol-6-yl)methanediol.

Molecular Properties

Compound Name(1-cyclopentyl-3-ethylindazol-6-yl)methanediol
PubChem CID57438282
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(1-cyclopentyl-3-ethylindazol-6-yl)methanediol
SMILESCCc1nn(C2CCCC2)c2cc(C(O)O)ccc12
InChIInChI=1S/C15H20N2O2/c1-2-13-12-8-7-10(15(18)19)9-14(12)17(16-13)11-5-3-4-6-11/h7-9,11,15,18-19H,2-6H2,1H3
InChIKeyRIIKHZPHGATQLJ-UHFFFAOYSA-N
XLogP2.70
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-3-ethylindazol-6-yl)methanediol?
The IUPAC name of (1-cyclopentyl-3-ethylindazol-6-yl)methanediol (CID 57438282) is (1-cyclopentyl-3-ethylindazol-6-yl)methanediol.
What is the SMILES notation for (1-cyclopentyl-3-ethylindazol-6-yl)methanediol?
The canonical SMILES for (1-cyclopentyl-3-ethylindazol-6-yl)methanediol is CCc1nn(C2CCCC2)c2cc(C(O)O)ccc12.
What is the InChIKey of (1-cyclopentyl-3-ethylindazol-6-yl)methanediol?
The InChIKey is RIIKHZPHGATQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-13-12-8-7-10(15(18)19)9-14(12)17(16-13)11-5-3-4-6-11/h7-9,11,15,18-19H,2-6H2,1H3.
What are the key properties of (1-cyclopentyl-3-ethylindazol-6-yl)methanediol?
(1-cyclopentyl-3-ethylindazol-6-yl)methanediol has a molecular weight of 260.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-3-ethylindazol-6-yl)methanediol is sourced from PubChem (CID 57438282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).