1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol

C18H18F2N4O — CID 47613350

IUPAC1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
SMILESCn1cc(CNCC(O)c2ccc(F)cc2F)c(-c2ccncc2)n1
InChIInChI=1S/C18H18F2N4O/c1-24-11-13(18(23-24)12-4-6-21-7-5-12)9-22-10-17(25)15-3-2-14(19)8-16(15)20/h2-8,11,17,22,25H,9-10H2,1H3
InChIKeyXBCWMDONAXAORH-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.58
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol

1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol (PubChem CID 47613350) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
PubChem CID47613350
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol
SMILESCn1cc(CNCC(O)c2ccc(F)cc2F)c(-c2ccncc2)n1
InChIInChI=1S/C18H18F2N4O/c1-24-11-13(18(23-24)12-4-6-21-7-5-12)9-22-10-17(25)15-3-2-14(19)8-16(15)20/h2-8,11,17,22,25H,9-10H2,1H3
InChIKeyXBCWMDONAXAORH-UHFFFAOYSA-N
XLogP2.58
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71710905
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CID 44401707
CID 44401707
CID 44401853
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CID 46881798
CID 46881798
CID 46881799
CID 46881799
CID 46881838
CID 46881838
CID 46881840
CID 46881840
CID 52949064
CID 52949064
CID 53357600
CID 53357600
CID 73293373
CID 73293373
CID 78225546
CID 78225546

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol (CID 47613350) is 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol is Cn1cc(CNCC(O)c2ccc(F)cc2F)c(-c2ccncc2)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is XBCWMDONAXAORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-24-11-13(18(23-24)12-4-6-21-7-5-12)9-22-10-17(25)15-3-2-14(19)8-16(15)20/h2-8,11,17,22,25H,9-10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol?
1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 344.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 47613350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).