5-pyridin-4-yl-1H-indazole

C12H9N3 — CID 53399664

IUPAC5-pyridin-4-yl-1H-indazole
SMILESc1cc(-c2ccc3[nH]ncc3c2)ccn1
InChIInChI=1S/C12H9N3/c1-2-12-11(8-14-15-12)7-10(1)9-3-5-13-6-4-9/h1-8H,(H,14,15)
InChIKeyCILGVAIRQUNMLT-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.62
Rot. Bonds1

About 5-pyridin-4-yl-1H-indazole

5-pyridin-4-yl-1H-indazole (PubChem CID 53399664) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-pyridin-4-yl-1H-indazole
PubChem CID53399664
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name5-pyridin-4-yl-1H-indazole
SMILESc1cc(-c2ccc3[nH]ncc3c2)ccn1
InChIInChI=1S/C12H9N3/c1-2-12-11(8-14-15-12)7-10(1)9-3-5-13-6-4-9/h1-8H,(H,14,15)
InChIKeyCILGVAIRQUNMLT-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-pyridin-4-yl-1H-indazole (CID 53399664) is 5-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-pyridin-4-yl-1H-indazole is c1cc(-c2ccc3[nH]ncc3c2)ccn1.
What is the InChIKey of 5-pyridin-4-yl-1H-indazole?
The InChIKey is CILGVAIRQUNMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-12-11(8-14-15-12)7-10(1)9-3-5-13-6-4-9/h1-8H,(H,14,15).
What are the key properties of 5-pyridin-4-yl-1H-indazole?
5-pyridin-4-yl-1H-indazole has a molecular weight of 195.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 53399664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).