3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide

C19H16F3N3O2 — CID 24979607

IUPAC3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide
SMILESCc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3nn2CCC(N)=O)cc1
InChIInChI=1S/C19H16F3N3O2/c1-11-2-4-12(5-3-11)18(27)17-14-7-6-13(19(20,21)22)10-15(14)24-25(17)9-8-16(23)26/h2-7,10H,8-9H2,1H3,(H2,23,26)
InChIKeyGJRZXBSRRLEFAE-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.47
Rot. Bonds5

About 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide

3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide (PubChem CID 24979607) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide
PubChem CID24979607
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide
SMILESCc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3nn2CCC(N)=O)cc1
InChIInChI=1S/C19H16F3N3O2/c1-11-2-4-12(5-3-11)18(27)17-14-7-6-13(19(20,21)22)10-15(14)24-25(17)9-8-16(23)26/h2-7,10H,8-9H2,1H3,(H2,23,26)
InChIKeyGJRZXBSRRLEFAE-UHFFFAOYSA-N
XLogP3.47
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide?
The IUPAC name of 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide (CID 24979607) is 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide.
What is the SMILES notation for 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide?
The canonical SMILES for 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide is Cc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3nn2CCC(N)=O)cc1.
What is the InChIKey of 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide?
The InChIKey is GJRZXBSRRLEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-11-2-4-12(5-3-11)18(27)17-14-7-6-13(19(20,21)22)10-15(14)24-25(17)9-8-16(23)26/h2-7,10H,8-9H2,1H3,(H2,23,26).
What are the key properties of 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide?
3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide has a molecular weight of 375.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylbenzoyl)-6-(trifluoromethyl)indazol-2-yl]propanamide is sourced from PubChem (CID 24979607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).