N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide

C19H22FN3O — CID 42564878

IUPACN-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
SMILESC=CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c1-4-5-18(24)22-16-10-19(2,3)11-17-15(16)12-21-23(17)14-8-6-13(20)7-9-14/h4,6-9,12,16H,1,5,10-11H2,2-3H3,(H,22,24)/t16-/m0/s1
InChIKeyCUHFXSZADLSKFS-INIZCTEOSA-N
MW327.40 g/mol
LogP3.72
Rot. Bonds4

About N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide

N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide (PubChem CID 42564878) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
PubChem CID42564878
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
SMILESC=CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c1-4-5-18(24)22-16-10-19(2,3)11-17-15(16)12-21-23(17)14-8-6-13(20)7-9-14/h4,6-9,12,16H,1,5,10-11H2,2-3H3,(H,22,24)/t16-/m0/s1
InChIKeyCUHFXSZADLSKFS-INIZCTEOSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide;hydrochloride
CID 154898809
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methoxyacetamide
CID 42153757
2-(diethylamino)-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25364173
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46959442
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
CID 72905767
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24791444
N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42567424
1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
CID 26397040
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide
CID 72935886
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 26317169
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride
CID 154898311

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
The IUPAC name of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide (CID 42564878) is N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide.
What is the SMILES notation for N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
The canonical SMILES for N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide is C=CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
The InChIKey is CUHFXSZADLSKFS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-4-5-18(24)22-16-10-19(2,3)11-17-15(16)12-21-23(17)14-8-6-13(20)7-9-14/h4,6-9,12,16H,1,5,10-11H2,2-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide?
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide has a molecular weight of 327.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide is sourced from PubChem (CID 42564878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).