5-methyl-1-prop-2-ynylindazole

C11H10N2 — CID 58763635

IUPAC5-methyl-1-prop-2-ynylindazole
SMILESC#CCn1ncc2cc(C)ccc21
InChIInChI=1S/C11H10N2/c1-3-6-13-11-5-4-9(2)7-10(11)8-12-13/h1,4-5,7-8H,6H2,2H3
InChIKeyBWSFFJJPKLYRDC-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.98
Rot. Bonds1

About 5-methyl-1-prop-2-ynylindazole

5-methyl-1-prop-2-ynylindazole (PubChem CID 58763635) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-methyl-1-prop-2-ynylindazole.

Molecular Properties

Compound Name5-methyl-1-prop-2-ynylindazole
PubChem CID58763635
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name5-methyl-1-prop-2-ynylindazole
SMILESC#CCn1ncc2cc(C)ccc21
InChIInChI=1S/C11H10N2/c1-3-6-13-11-5-4-9(2)7-10(11)8-12-13/h1,4-5,7-8H,6H2,2H3
InChIKeyBWSFFJJPKLYRDC-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-2-ynylindazole?
The IUPAC name of 5-methyl-1-prop-2-ynylindazole (CID 58763635) is 5-methyl-1-prop-2-ynylindazole.
What is the SMILES notation for 5-methyl-1-prop-2-ynylindazole?
The canonical SMILES for 5-methyl-1-prop-2-ynylindazole is C#CCn1ncc2cc(C)ccc21.
What is the InChIKey of 5-methyl-1-prop-2-ynylindazole?
The InChIKey is BWSFFJJPKLYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-6-13-11-5-4-9(2)7-10(11)8-12-13/h1,4-5,7-8H,6H2,2H3.
What are the key properties of 5-methyl-1-prop-2-ynylindazole?
5-methyl-1-prop-2-ynylindazole has a molecular weight of 170.21 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-ynylindazole is sourced from PubChem (CID 58763635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).