5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol

C17H24FN3O — CID 111467905

IUPAC5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O/c1-12(22)8-17(2,3)11-19-9-14-10-20-21-16(14)13-4-6-15(18)7-5-13/h4-7,10,12,19,22H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyVBIQCEZRBQMHEA-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.10
Rot. Bonds7

About 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol

5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 111467905) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
PubChem CID111467905
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O/c1-12(22)8-17(2,3)11-19-9-14-10-20-21-16(14)13-4-6-15(18)7-5-13/h4-7,10,12,19,22H,8-9,11H2,1-3H3,(H,20,21)
InChIKeyVBIQCEZRBQMHEA-UHFFFAOYSA-N
XLogP3.10
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111468002
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
5-(4-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazole
CID 59743851
1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 51089422
(1S)-1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 94800566
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-propoxyethanamine
CID 46983886
5-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467997
4-fluoro-N-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethyl]benzamide
CID 46998774
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 111468025
N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103824423

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol (CID 111467905) is 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol is CC(O)CC(C)(C)CNCc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is VBIQCEZRBQMHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-12(22)8-17(2,3)11-19-9-14-10-20-21-16(14)13-4-6-15(18)7-5-13/h4-7,10,12,19,22H,8-9,11H2,1-3H3,(H,20,21).
What are the key properties of 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol?
5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 305.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 111467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).