(3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone

C19H17F3N2O2 — CID 69058159

IUPAC(3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone
SMILESCCCn1nc(C(=O)c2cccc(OC)c2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H17F3N2O2/c1-3-10-24-17-14(8-5-9-15(17)19(20,21)22)16(23-24)18(25)12-6-4-7-13(11-12)26-2/h4-9,11H,3,10H2,1-2H3
InChIKeyXTNJZHAGYAVKKQ-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.70
Rot. Bonds5

About (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone

(3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone (PubChem CID 69058159) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone
PubChem CID69058159
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name(3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone
SMILESCCCn1nc(C(=O)c2cccc(OC)c2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C19H17F3N2O2/c1-3-10-24-17-14(8-5-9-15(17)19(20,21)22)16(23-24)18(25)12-6-4-7-13(11-12)26-2/h4-9,11H,3,10H2,1-2H3
InChIKeyXTNJZHAGYAVKKQ-UHFFFAOYSA-N
XLogP4.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone (CID 69058159) is (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone is CCCn1nc(C(=O)c2cccc(OC)c2)c2cccc(C(F)(F)F)c21.
What is the InChIKey of (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone?
The InChIKey is XTNJZHAGYAVKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-3-10-24-17-14(8-5-9-15(17)19(20,21)22)16(23-24)18(25)12-6-4-7-13(11-12)26-2/h4-9,11H,3,10H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone?
(3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone has a molecular weight of 362.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[1-propyl-7-(trifluoromethyl)indazol-3-yl]methanone is sourced from PubChem (CID 69058159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).