5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole

C20H16F3N5 — CID 11269081

IUPAC5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)c1
InChIInChI=1S/C20H16F3N5/c21-20(22,23)14-3-1-2-12(9-14)18-15-10-13(6-7-16(15)25-27-18)19-24-17(26-28-19)8-11-4-5-11/h1-3,6-7,9-11H,4-5,8H2,(H,25,27)(H,24,26,28)
InChIKeyAUVFTEZBLNMXGE-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.99
Rot. Bonds4

About 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole

5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 11269081) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID11269081
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)c1
InChIInChI=1S/C20H16F3N5/c21-20(22,23)14-3-1-2-12(9-14)18-15-10-13(6-7-16(15)25-27-18)19-24-17(26-28-19)8-11-4-5-11/h1-3,6-7,9-11H,4-5,8H2,(H,25,27)(H,24,26,28)
InChIKeyAUVFTEZBLNMXGE-UHFFFAOYSA-N
XLogP4.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole (CID 11269081) is 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole is FC(F)(F)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)c1.
What is the InChIKey of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is AUVFTEZBLNMXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c21-20(22,23)14-3-1-2-12(9-14)18-15-10-13(6-7-16(15)25-27-18)19-24-17(26-28-19)8-11-4-5-11/h1-3,6-7,9-11H,4-5,8H2,(H,25,27)(H,24,26,28).
What are the key properties of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole?
5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 383.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-[3-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 11269081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).