2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol

C13H15F2N3O2 — CID 64831321

IUPAC2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccccc2OC(F)F)cn1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)20-12-4-2-1-3-11(12)16-7-10-8-17-18(9-10)5-6-19/h1-4,8-9,13,16,19H,5-7H2
InChIKeyINGMVUGMYXZCSX-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.09
Rot. Bonds7

About 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol

2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64831321) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
PubChem CID64831321
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccccc2OC(F)F)cn1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)20-12-4-2-1-3-11(12)16-7-10-8-17-18(9-10)5-6-19/h1-4,8-9,13,16,19H,5-7H2
InChIKeyINGMVUGMYXZCSX-UHFFFAOYSA-N
XLogP2.09
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 75392529
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
CID 64830564
2-[4-[(2-thiophen-2-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 64828814
2-(2,2-difluoroethoxy)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71917733
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
2-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64828561

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol (CID 64831321) is 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNc2ccccc2OC(F)F)cn1.
What is the InChIKey of 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is INGMVUGMYXZCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-13(15)20-12-4-2-1-3-11(12)16-7-10-8-17-18(9-10)5-6-19/h1-4,8-9,13,16,19H,5-7H2.
What are the key properties of 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 283.28 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64831321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).