2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol

C14H17F2N3O — CID 107485726

IUPAC2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccn(-c2ccccc2)n1)CC(F)F
InChIInChI=1S/C14H17F2N3O/c15-14(16)11-18(8-9-20)10-12-6-7-19(17-12)13-4-2-1-3-5-13/h1-7,14,20H,8-11H2
InChIKeyWFMNOLLDYMTIJK-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.93
Rot. Bonds7

About 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol (PubChem CID 107485726) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol
PubChem CID107485726
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccn(-c2ccccc2)n1)CC(F)F
InChIInChI=1S/C14H17F2N3O/c15-14(16)11-18(8-9-20)10-12-6-7-19(17-12)13-4-2-1-3-5-13/h1-7,14,20H,8-11H2
InChIKeyWFMNOLLDYMTIJK-UHFFFAOYSA-N
XLogP1.93
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-propyl-pyrazole
CID 57320331
3-methyl-1-phenyl-1H-pyrazole
CID 70783
2-(1-phenyl-1H-pyrazol-5-yl)ethan-1-ol
CID 59410573
2,2,2-trifluoro-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54978509
4-(3-(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CID 688686
2-(4-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl) methyl) piperazin-1-yl)ethanol
CID 135659014
1-Phenyl-3-(trifluoromethyl)pyrazole
CID 2776449
Pyrazole-5-methanol, 4-(dimethylamino)-1-phenyl-
CID 210534
(1-phenyl-1H-pyrazol-3-yl)methanamine
CID 40067790
(1-phenyl-1H-pyrazol-3-yl)methanol
CID 47082877
[1-(3-fluorophenyl)-1H-pyrazol-3-yl]methanol
CID 47093611
1-(4-fluorophenyl)-3-methyl-1H-pyrazole
CID 53443378

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol (CID 107485726) is 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol is OCCN(Cc1ccn(-c2ccccc2)n1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol?
The InChIKey is WFMNOLLDYMTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-14(16)11-18(8-9-20)10-12-6-7-19(17-12)13-4-2-1-3-5-13/h1-7,14,20H,8-11H2.
What are the key properties of 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol has a molecular weight of 281.31 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).