3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole

C19H16N8 — CID 57406014

IUPAC3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole
SMILESc1ccc2c(-c3cn(-c4cnn(CCc5ccncc5)c4)nn3)n[nH]c2c1
InChIInChI=1S/C19H16N8/c1-2-4-17-16(3-1)19(24-22-17)18-13-27(25-23-18)15-11-21-26(12-15)10-7-14-5-8-20-9-6-14/h1-6,8-9,11-13H,7,10H2,(H,22,24)
InChIKeyOIBSHQOKWHILDZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.64
Rot. Bonds5

About 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole

3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole (PubChem CID 57406014) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole
PubChem CID57406014
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole
SMILESc1ccc2c(-c3cn(-c4cnn(CCc5ccncc5)c4)nn3)n[nH]c2c1
InChIInChI=1S/C19H16N8/c1-2-4-17-16(3-1)19(24-22-17)18-13-27(25-23-18)15-11-21-26(12-15)10-7-14-5-8-20-9-6-14/h1-6,8-9,11-13H,7,10H2,(H,22,24)
InChIKeyOIBSHQOKWHILDZ-UHFFFAOYSA-N
XLogP2.64
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole?
The IUPAC name of 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole (CID 57406014) is 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole is c1ccc2c(-c3cn(-c4cnn(CCc5ccncc5)c4)nn3)n[nH]c2c1.
What is the InChIKey of 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole?
The InChIKey is OIBSHQOKWHILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-2-4-17-16(3-1)19(24-22-17)18-13-27(25-23-18)15-11-21-26(12-15)10-7-14-5-8-20-9-6-14/h1-6,8-9,11-13H,7,10H2,(H,22,24).
What are the key properties of 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole?
3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole has a molecular weight of 356.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 57406014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).