4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol

C22H24FN3O — CID 45195645

IUPAC4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NCc2ccc(O)cc2)C1
InChIInChI=1S/C22H24FN3O/c1-22(2)11-20(24-13-15-3-9-18(27)10-4-15)19-14-25-26(21(19)12-22)17-7-5-16(23)6-8-17/h3-10,14,20,24,27H,11-13H2,1-2H3
InChIKeyLZKJQCKRGUXTTB-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.52
Rot. Bonds4

About 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol

4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol (PubChem CID 45195645) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
PubChem CID45195645
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NCc2ccc(O)cc2)C1
InChIInChI=1S/C22H24FN3O/c1-22(2)11-20(24-13-15-3-9-18(27)10-4-15)19-14-25-26(21(19)12-22)17-7-5-16(23)6-8-17/h3-10,14,20,24,27H,11-13H2,1-2H3
InChIKeyLZKJQCKRGUXTTB-UHFFFAOYSA-N
XLogP4.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[4-[[[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]thiophen-2-yl]ethanone
CID 42526904
3-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 45239308
(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
2-amino-N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide;hydrochloride
CID 154898809
1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 45172656
4-[4-[[[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 45214541
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
6,6-dimethyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 45170289
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
CID 72905767
(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
CID 42198957

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol (CID 45195645) is 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol?
The InChIKey is LZKJQCKRGUXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-22(2)11-20(24-13-15-3-9-18(27)10-4-15)19-14-25-26(21(19)12-22)17-7-5-16(23)6-8-17/h3-10,14,20,24,27H,11-13H2,1-2H3.
What are the key properties of 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol?
4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol has a molecular weight of 365.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol is sourced from PubChem (CID 45195645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).