N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide

C19H24FN3O2 — CID 23723516

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)C(C)(C)O)C1
InChIInChI=1S/C19H24FN3O2/c1-18(2)9-15(22-17(24)19(3,4)25)14-11-21-23(16(14)10-18)13-7-5-12(20)6-8-13/h5-8,11,15,25H,9-10H2,1-4H3,(H,22,24)
InChIKeyKOKQRHJMEZWCPT-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.91
Rot. Bonds3

About N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide (PubChem CID 23723516) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide
PubChem CID23723516
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)C(C)(C)O)C1
InChIInChI=1S/C19H24FN3O2/c1-18(2)9-15(22-17(24)19(3,4)25)14-11-21-23(16(14)10-18)13-7-5-12(20)6-8-13/h5-8,11,15,25H,9-10H2,1-4H3,(H,22,24)
InChIKeyKOKQRHJMEZWCPT-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide (CID 23723516) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)C(C)(C)O)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide?
The InChIKey is KOKQRHJMEZWCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-18(2)9-15(22-17(24)19(3,4)25)14-11-21-23(16(14)10-18)13-7-5-12(20)6-8-13/h5-8,11,15,25H,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide has a molecular weight of 345.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 23723516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).