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

C19H16FN5 — CID 11232867

IUPAC5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cc1
InChIInChI=1S/C19H16FN5/c20-14-6-3-12(4-7-14)18-15-10-13(5-8-16(15)22-24-18)19-21-17(23-25-19)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H,22,24)(H,21,23,25)
InChIKeyDDKTYHUVDJXPLP-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.11
Rot. Bonds4

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

5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole (PubChem CID 11232867) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
PubChem CID11232867
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
SMILESFc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cc1
InChIInChI=1S/C19H16FN5/c20-14-6-3-12(4-7-14)18-15-10-13(5-8-16(15)22-24-18)19-21-17(23-25-19)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H,22,24)(H,21,23,25)
InChIKeyDDKTYHUVDJXPLP-UHFFFAOYSA-N
XLogP4.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.11
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-(4-fluorophenyl)-1H-indazole?
The IUPAC name of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole (CID 11232867) is 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole.
What is the SMILES notation for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The canonical SMILES for 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole is Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cc1.
What is the InChIKey of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The InChIKey is DDKTYHUVDJXPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c20-14-6-3-12(4-7-14)18-15-10-13(5-8-16(15)22-24-18)19-21-17(23-25-19)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H,22,24)(H,21,23,25).
What are the key properties of 5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
5-[5-(cyclopropylmethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole has a molecular weight of 333.37 g/mol, XLogP of 4.11, 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-(4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 11232867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).