2-propylindazole

C10H12N2 — CID 11768860

IUPAC2-propylindazole
SMILESCCCn1cc2ccccc2n1
InChIInChI=1S/C10H12N2/c1-2-7-12-8-9-5-3-4-6-10(9)11-12/h3-6,8H,2,7H2,1H3
InChIKeyGJNUYXSRWYPKQO-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.45
Rot. Bonds2

About 2-propylindazole

2-propylindazole (PubChem CID 11768860) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-propylindazole.

Molecular Properties

Compound Name2-propylindazole
PubChem CID11768860
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-propylindazole
SMILESCCCn1cc2ccccc2n1
InChIInChI=1S/C10H12N2/c1-2-7-12-8-9-5-3-4-6-10(9)11-12/h3-6,8H,2,7H2,1H3
InChIKeyGJNUYXSRWYPKQO-UHFFFAOYSA-N
XLogP2.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylindazole?
The IUPAC name of 2-propylindazole (CID 11768860) is 2-propylindazole.
What is the SMILES notation for 2-propylindazole?
The canonical SMILES for 2-propylindazole is CCCn1cc2ccccc2n1.
What is the InChIKey of 2-propylindazole?
The InChIKey is GJNUYXSRWYPKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-7-12-8-9-5-3-4-6-10(9)11-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-propylindazole?
2-propylindazole has a molecular weight of 160.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylindazole is sourced from PubChem (CID 11768860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).