1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol

C16H17N3O2 — CID 86984352

IUPAC1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
SMILESOC(CNCc1ccc(-n2cccn2)cc1)c1ccco1
InChIInChI=1S/C16H17N3O2/c20-15(16-3-1-10-21-16)12-17-11-13-4-6-14(7-5-13)19-9-2-8-18-19/h1-10,15,17,20H,11-12H2
InChIKeyLWQAGANPWKFNCQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.29
Rot. Bonds6

About 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol

1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol (PubChem CID 86984352) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
PubChem CID86984352
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol
SMILESOC(CNCc1ccc(-n2cccn2)cc1)c1ccco1
InChIInChI=1S/C16H17N3O2/c20-15(16-3-1-10-21-16)12-17-11-13-4-6-14(7-5-13)19-9-2-8-18-19/h1-10,15,17,20H,11-12H2
InChIKeyLWQAGANPWKFNCQ-UHFFFAOYSA-N
XLogP2.29
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
1-phenyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-ol
CID 111104760
4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
CID 122073068
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
2-[(4-pyrazol-1-ylphenyl)methylamino]propane-1,3-diol
CID 65310420
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245
6-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]-1,4-oxazepan-6-ol
CID 70716640
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160
N-[(5-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61012027
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol (CID 86984352) is 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol is OC(CNCc1ccc(-n2cccn2)cc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol?
The InChIKey is LWQAGANPWKFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15(16-3-1-10-21-16)12-17-11-13-4-6-14(7-5-13)19-9-2-8-18-19/h1-10,15,17,20H,11-12H2.
What are the key properties of 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol?
1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol has a molecular weight of 283.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methylamino]ethanol is sourced from PubChem (CID 86984352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).