N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C23H28FN5O — CID 46959442

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C23H28FN5O/c1-14-15(2)27-28(16(14)3)13-22(30)26-20-10-23(4,5)11-21-19(20)12-25-29(21)18-8-6-17(24)7-9-18/h6-9,12,20H,10-11,13H2,1-5H3,(H,26,30)
InChIKeyJFKBNXSZSZRYKS-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 46959442) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID46959442
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C23H28FN5O/c1-14-15(2)27-28(16(14)3)13-22(30)26-20-10-23(4,5)11-21-19(20)12-25-29(21)18-8-6-17(24)7-9-18/h6-9,12,20H,10-11,13H2,1-5H3,(H,26,30)
InChIKeyJFKBNXSZSZRYKS-UHFFFAOYSA-N
XLogP3.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]but-3-enamide
CID 42564878
2-amino-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide;hydrochloride
CID 154898809
2-(diethylamino)-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25364173
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methoxyacetamide
CID 42153757
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24791444
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
CID 72905767
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
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 51494518
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
2-(3-chloro-6-oxopyridazin-1-yl)-N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 42509767
5-ethyl-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1H-pyrazole-3-carboxamide
CID 97122154

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 46959442) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(C)c1C.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is JFKBNXSZSZRYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-14-15(2)27-28(16(14)3)13-22(30)26-20-10-23(4,5)11-21-19(20)12-25-29(21)18-8-6-17(24)7-9-18/h6-9,12,20H,10-11,13H2,1-5H3,(H,26,30).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 46959442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).