5-cyclopropyloxy-1-methylindazole

C11H12N2O — CID 130057460

IUPAC5-cyclopropyloxy-1-methylindazole
SMILESCn1ncc2cc(OC3CC3)ccc21
InChIInChI=1S/C11H12N2O/c1-13-11-5-4-10(14-9-2-3-9)6-8(11)7-12-13/h4-7,9H,2-3H2,1H3
InChIKeyBFAPADUSVRNLLD-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.11
Rot. Bonds2

About 5-cyclopropyloxy-1-methylindazole

5-cyclopropyloxy-1-methylindazole (PubChem CID 130057460) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-cyclopropyloxy-1-methylindazole.

Molecular Properties

Compound Name5-cyclopropyloxy-1-methylindazole
PubChem CID130057460
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-cyclopropyloxy-1-methylindazole
SMILESCn1ncc2cc(OC3CC3)ccc21
InChIInChI=1S/C11H12N2O/c1-13-11-5-4-10(14-9-2-3-9)6-8(11)7-12-13/h4-7,9H,2-3H2,1H3
InChIKeyBFAPADUSVRNLLD-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyloxy-1-methylindazole?
The IUPAC name of 5-cyclopropyloxy-1-methylindazole (CID 130057460) is 5-cyclopropyloxy-1-methylindazole.
What is the SMILES notation for 5-cyclopropyloxy-1-methylindazole?
The canonical SMILES for 5-cyclopropyloxy-1-methylindazole is Cn1ncc2cc(OC3CC3)ccc21.
What is the InChIKey of 5-cyclopropyloxy-1-methylindazole?
The InChIKey is BFAPADUSVRNLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-11-5-4-10(14-9-2-3-9)6-8(11)7-12-13/h4-7,9H,2-3H2,1H3.
What are the key properties of 5-cyclopropyloxy-1-methylindazole?
5-cyclopropyloxy-1-methylindazole has a molecular weight of 188.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyloxy-1-methylindazole is sourced from PubChem (CID 130057460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).