2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol

C24H37F2N3O — CID 135209016

IUPAC2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCCCCC(C)N(CC(O)(Cn1cccn1)c1ccc(F)cc1F)C(C)CCCC
InChIInChI=1S/C24H37F2N3O/c1-5-7-10-19(3)29(20(4)11-8-6-2)18-24(30,17-28-15-9-14-27-28)22-13-12-21(25)16-23(22)26/h9,12-16,19-20,30H,5-8,10-11,17-18H2,1-4H3
InChIKeyNLCVTSQCBBQOFX-UHFFFAOYSA-N
MW421.58 g/mol
LogP5.51
Rot. Bonds13

About 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol

2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 135209016) has the molecular formula C24H37F2N3O and a molecular weight of 421.58 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID135209016
Molecular FormulaC24H37F2N3O
Molecular Weight421.58 g/mol
Exact Mass421.29
IUPAC Name2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCCCCC(C)N(CC(O)(Cn1cccn1)c1ccc(F)cc1F)C(C)CCCC
InChIInChI=1S/C24H37F2N3O/c1-5-7-10-19(3)29(20(4)11-8-6-2)18-24(30,17-28-15-9-14-27-28)22-13-12-21(25)16-23(22)26/h9,12-16,19-20,30H,5-8,10-11,17-18H2,1-4H3
InChIKeyNLCVTSQCBBQOFX-UHFFFAOYSA-N
XLogP5.51
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol 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-(2,4-difluorophenyl)-1-(1-pentan-2-yloxyhexylamino)-3-pyrazol-1-ylpropan-2-ol
CID 135209006
2-(2,4-difluorophenyl)-1-(4-ethylpiperazin-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 135209019
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
1-[(4-tert-butylphenyl)methyl-methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11524470
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
2-(2,4-difluorophenyl)-1-[methyl(piperidin-4-yl)amino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 50907306
(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 67853018
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
CID 11121337
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
2-(2,4-difluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl-propan-2-ylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 46174750
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylselanyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171345060
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 135209016) is 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol is CCCCC(C)N(CC(O)(Cn1cccn1)c1ccc(F)cc1F)C(C)CCCC.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is NLCVTSQCBBQOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F2N3O/c1-5-7-10-19(3)29(20(4)11-8-6-2)18-24(30,17-28-15-9-14-27-28)22-13-12-21(25)16-23(22)26/h9,12-16,19-20,30H,5-8,10-11,17-18H2,1-4H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol?
2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 421.58 g/mol, XLogP of 5.51, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[di(hexan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 135209016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).