1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol

C17H19N3O3 — CID 110889941

IUPAC1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
SMILESCOc1ccc(-c2[nH]ncc2CNCC(O)c2ccco2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-6-4-12(5-7-14)17-13(10-19-20-17)9-18-11-15(21)16-3-2-8-23-16/h2-8,10,15,18,21H,9,11H2,1H3,(H,19,20)
InChIKeyUTXOOEHOEMENES-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.50
Rot. Bonds7

About 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol

1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol (PubChem CID 110889941) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
PubChem CID110889941
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
SMILESCOc1ccc(-c2[nH]ncc2CNCC(O)c2ccco2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-6-4-12(5-7-14)17-13(10-19-20-17)9-18-11-15(21)16-3-2-8-23-16/h2-8,10,15,18,21H,9,11H2,1H3,(H,19,20)
InChIKeyUTXOOEHOEMENES-UHFFFAOYSA-N
XLogP2.50
TPSA83.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888253
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
N'-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 154747551
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 86808519
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine;hydrochloride
CID 56816245
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
2-methyl-N-[[5-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79490650
N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484773

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol (CID 110889941) is 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol is COc1ccc(-c2[nH]ncc2CNCC(O)c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
The InChIKey is UTXOOEHOEMENES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-6-4-12(5-7-14)17-13(10-19-20-17)9-18-11-15(21)16-3-2-8-23-16/h2-8,10,15,18,21H,9,11H2,1H3,(H,19,20).
What are the key properties of 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol has a molecular weight of 313.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol is sourced from PubChem (CID 110889941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).