1-propylindazole

C10H12N2 — CID 18695497

IUPAC1-propylindazole
SMILESCCCn1ncc2ccccc21
InChIInChI=1S/C10H12N2/c1-2-7-12-10-6-4-3-5-9(10)8-11-12/h3-6,8H,2,7H2,1H3
InChIKeyRZKWVEZVXKPEIV-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.45
Rot. Bonds2

About 1-propylindazole

1-propylindazole (PubChem CID 18695497) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-propylindazole.

Molecular Properties

Compound Name1-propylindazole
PubChem CID18695497
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-propylindazole
SMILESCCCn1ncc2ccccc21
InChIInChI=1S/C10H12N2/c1-2-7-12-10-6-4-3-5-9(10)8-11-12/h3-6,8H,2,7H2,1H3
InChIKeyRZKWVEZVXKPEIV-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

Analyze 1-propylindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-deuterio-1-propylindazole
CID 175709834
1-ethylindazole;propane
CID 143188130
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
CID 145062231
5-indazol-1-yl-N-propylpentan-1-amine
CID 62448825
1-(4-chlorobutyl)indazole
CID 62140548
4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
N-(indazol-1-ylmethyl)ethanamine
CID 57195663
4-indazol-1-ylbutan-1-ol
CID 62142094
6-indazol-1-ylhexan-3-amine
CID 106800346
3-indazol-1-ylpropanoic acid
CID 805922
cobalt;1-ethylindazole
CID 58657391
azane;6-phenylsulfanyl-1-propylindazole
CID 66838329

Frequently Asked Questions

What is the IUPAC name of 1-propylindazole?
The IUPAC name of 1-propylindazole (CID 18695497) is 1-propylindazole.
What is the SMILES notation for 1-propylindazole?
The canonical SMILES for 1-propylindazole is CCCn1ncc2ccccc21.
What is the InChIKey of 1-propylindazole?
The InChIKey is RZKWVEZVXKPEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-7-12-10-6-4-3-5-9(10)8-11-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-propylindazole?
1-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 1-propylindazole is sourced from PubChem (CID 18695497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).