(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol

C19H19FN2O — CID 173382149

IUPAC(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)C1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1CC
InChIInChI=1S/C19H19FN2O/c1-4-14-10-17-13(11-19(14,3)18(23)5-2)12-21-22(17)16-8-6-15(20)7-9-16/h2,6-10,12,18,23H,4,11H2,1,3H3/t18-,19?/m0/s1
InChIKeyAMLIYCUPBOVAFT-OYKVQYDMSA-N
MW310.37 g/mol
LogP3.36
Rot. Bonds3

About (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol

(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol (PubChem CID 173382149) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol
PubChem CID173382149
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)C1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1CC
InChIInChI=1S/C19H19FN2O/c1-4-14-10-17-13(11-19(14,3)18(23)5-2)12-21-22(17)16-8-6-15(20)7-9-16/h2,6-10,12,18,23H,4,11H2,1,3H3/t18-,19?/m0/s1
InChIKeyAMLIYCUPBOVAFT-OYKVQYDMSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 173382158
2-[(3S)-3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]benzoic acid
CID 173382163
1-[2-[(3S)-3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]phenyl]azetidin-2-one
CID 173382173
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
(4aS,5R)-5-ethynyl-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
CID 10267263
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
1-[(4aR,5S)-1-(4-fluorophenyl)-4a,5-dimethyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-3-methylbutan-2-ol
CID 70818654
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 66919344
(4aS,5R)-5-[2-(2-ethylphenyl)ethyl]-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-ol
CID 123659258
(3S)-3-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-3-hydroxypropanenitrile
CID 164619729
(4aS)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-g]isoquinoline
CID 143108757

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol?
The IUPAC name of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol (CID 173382149) is (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol?
The canonical SMILES for (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol is C#C[C@H](O)C1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1CC.
What is the InChIKey of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol?
The InChIKey is AMLIYCUPBOVAFT-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-4-14-10-17-13(11-19(14,3)18(23)5-2)12-21-22(17)16-8-6-15(20)7-9-16/h2,6-10,12,18,23H,4,11H2,1,3H3/t18-,19?/m0/s1.
What are the key properties of (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol?
(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol has a molecular weight of 310.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol is sourced from PubChem (CID 173382149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).