2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol

C17H19N3O2 — CID 111470542

IUPAC2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(-c2ccccc2)cc1CNC(CO)c1ccco1
InChIInChI=1S/C17H19N3O2/c1-13-14(10-18-16(12-21)17-8-5-9-22-17)11-20(19-13)15-6-3-2-4-7-15/h2-9,11,16,18,21H,10,12H2,1H3
InChIKeySRILXKAZLBXAHB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds6

About 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol

2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol (PubChem CID 111470542) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol
PubChem CID111470542
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(-c2ccccc2)cc1CNC(CO)c1ccco1
InChIInChI=1S/C17H19N3O2/c1-13-14(10-18-16(12-21)17-8-5-9-22-17)11-20(19-13)15-6-3-2-4-7-15/h2-9,11,16,18,21H,10,12H2,1H3
InChIKeySRILXKAZLBXAHB-UHFFFAOYSA-N
XLogP2.60
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine
CID 110026754
(2S)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]-3-phenylpropanoic acid
CID 99779368
4-methyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 120510085
2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795197
(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 47624262
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
CID 99823863
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 115767647
(1S,2R)-1-(2-fluorophenyl)-1-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 97337119
4-bromo-2-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]phenol
CID 111470423
2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol
CID 111470467
2-(3-methyl-1-phenylpyrazol-4-yl)acetonitrile
CID 86094579

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol (CID 111470542) is 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol is Cc1nn(-c2ccccc2)cc1CNC(CO)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is SRILXKAZLBXAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-14(10-18-16(12-21)17-8-5-9-22-17)11-20(19-13)15-6-3-2-4-7-15/h2-9,11,16,18,21H,10,12H2,1H3.
What are the key properties of 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 297.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 111470542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).