1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine

C26H28FN5 — CID 45172656

IUPAC1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
SMILESCn1cc(CNC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C26H28FN5/c1-26(2)13-23(22-16-29-32(24(22)14-26)21-11-9-20(27)10-12-21)28-15-19-17-31(3)30-25(19)18-7-5-4-6-8-18/h4-12,16-17,23,28H,13-15H2,1-3H3
InChIKeyXEVIGLROUZFLSU-UHFFFAOYSA-N
MW429.54 g/mol
LogP5.22
Rot. Bonds5

About 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine

1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine (PubChem CID 45172656) has the molecular formula C26H28FN5 and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
PubChem CID45172656
Molecular FormulaC26H28FN5
Molecular Weight429.54 g/mol
Exact Mass429.23
IUPAC Name1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
SMILESCn1cc(CNC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C26H28FN5/c1-26(2)13-23(22-16-29-32(24(22)14-26)21-11-9-20(27)10-12-21)28-15-19-17-31(3)30-25(19)18-7-5-4-6-8-18/h4-12,16-17,23,28H,13-15H2,1-3H3
InChIKeyXEVIGLROUZFLSU-UHFFFAOYSA-N
XLogP5.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine with MolForge

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Related Compounds

4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
CID 45195645
N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
CID 45176650
(4S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 26390947
3-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 45239308
1-[4-[[[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]thiophen-2-yl]ethanone
CID 42526904
4-[4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45200260
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]but-3-enamide
CID 42564878
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methoxyacetamide
CID 42153757
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
CID 72905767

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine (CID 45172656) is 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine is Cn1cc(CNC2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is XEVIGLROUZFLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5/c1-26(2)13-23(22-16-29-32(24(22)14-26)21-11-9-20(27)10-12-21)28-15-19-17-31(3)30-25(19)18-7-5-4-6-8-18/h4-12,16-17,23,28H,13-15H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine?
1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 429.54 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 45172656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).