2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

C17H17F2N3O2 — CID 110924573

IUPAC2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCc1occc1-c1cc(NCc2ccc(F)c(F)c2)n(CCO)n1
InChIInChI=1S/C17H17F2N3O2/c1-11-13(4-7-24-11)16-9-17(22(21-16)5-6-23)20-10-12-2-3-14(18)15(19)8-12/h2-4,7-9,20,23H,5-6,10H2,1H3
InChIKeyOWWDJAJFXYBBCQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.33
Rot. Bonds6

About 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol

2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (PubChem CID 110924573) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
PubChem CID110924573
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
SMILESCc1occc1-c1cc(NCc2ccc(F)c(F)c2)n(CCO)n1
InChIInChI=1S/C17H17F2N3O2/c1-11-13(4-7-24-11)16-9-17(22(21-16)5-6-23)20-10-12-2-3-14(18)15(19)8-12/h2-4,7-9,20,23H,5-6,10H2,1H3
InChIKeyOWWDJAJFXYBBCQ-UHFFFAOYSA-N
XLogP3.33
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 110928785
2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924575
2-[5-(cyclopentylamino)-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 110928779
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 126811714
2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol
CID 110924537
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]oxolane-2-carboxamide
CID 71933978
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]phenol
CID 110928739
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
CID 110924499
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]-6-methylpyridin-3-ol
CID 110935658
2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol
CID 75429650

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol (CID 110924573) is 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is Cc1occc1-c1cc(NCc2ccc(F)c(F)c2)n(CCO)n1.
What is the InChIKey of 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is OWWDJAJFXYBBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11-13(4-7-24-11)16-9-17(22(21-16)5-6-23)20-10-12-2-3-14(18)15(19)8-12/h2-4,7-9,20,23H,5-6,10H2,1H3.
What are the key properties of 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol?
2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 333.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-difluorophenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110924573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).