2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol

C22H26FN3O — CID 25378437

IUPAC2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCc1cccc(-n2cc(CN(CCO)C(C)C)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H26FN3O/c1-16(2)25(10-11-27)14-19-15-26(21-9-4-6-17(3)12-21)24-22(19)18-7-5-8-20(23)13-18/h4-9,12-13,15-16,27H,10-11,14H2,1-3H3
InChIKeyVTIMHZRXSMFVAY-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.19
Rot. Bonds7

About 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol

2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol (PubChem CID 25378437) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
PubChem CID25378437
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCc1cccc(-n2cc(CN(CCO)C(C)C)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C22H26FN3O/c1-16(2)25(10-11-27)14-19-15-26(21-9-4-6-17(3)12-21)24-22(19)18-7-5-8-20(23)13-18/h4-9,12-13,15-16,27H,10-11,14H2,1-3H3
InChIKeyVTIMHZRXSMFVAY-UHFFFAOYSA-N
XLogP4.19
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 28730007
(1R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42462698
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29151070
(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95892061
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 42215151
[(3R)-4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 95873525
[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70747526
(4S)-1-ethyl-4-[[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 25460197
2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol
CID 70757460
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-one
CID 70768807
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol (CID 25378437) is 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol is Cc1cccc(-n2cc(CN(CCO)C(C)C)c(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
The InChIKey is VTIMHZRXSMFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-16(2)25(10-11-27)14-19-15-26(21-9-4-6-17(3)12-21)24-22(19)18-7-5-8-20(23)13-18/h4-9,12-13,15-16,27H,10-11,14H2,1-3H3.
What are the key properties of 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol?
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol has a molecular weight of 367.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 25378437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).