4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide

C19H21F4N3O — CID 23723485

IUPAC4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCC(F)(F)F)C1
InChIInChI=1S/C19H21F4N3O/c1-18(2)9-15(25-17(27)7-8-19(21,22)23)14-11-24-26(16(14)10-18)13-5-3-12(20)4-6-13/h3-6,11,15H,7-10H2,1-2H3,(H,25,27)
InChIKeyYWCNSNIANXJPLF-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.48
Rot. Bonds4

About 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide

4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide (PubChem CID 23723485) has the molecular formula C19H21F4N3O and a molecular weight of 383.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide
PubChem CID23723485
Molecular FormulaC19H21F4N3O
Molecular Weight383.39 g/mol
Exact Mass383.16
IUPAC Name4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCC(F)(F)F)C1
InChIInChI=1S/C19H21F4N3O/c1-18(2)9-15(25-17(27)7-8-19(21,22)23)14-11-24-26(16(14)10-18)13-5-3-12(20)4-6-13/h3-6,11,15H,7-10H2,1-2H3,(H,25,27)
InChIKeyYWCNSNIANXJPLF-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide (CID 23723485) is 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide?
The InChIKey is YWCNSNIANXJPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N3O/c1-18(2)9-15(25-17(27)7-8-19(21,22)23)14-11-24-26(16(14)10-18)13-5-3-12(20)4-6-13/h3-6,11,15H,7-10H2,1-2H3,(H,25,27).
What are the key properties of 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide?
4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide has a molecular weight of 383.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]butanamide is sourced from PubChem (CID 23723485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).