2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol

C16H23N3O2 — CID 64829217

IUPAC2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol
SMILESCC(C)COc1cccc(NCc2cnn(CCO)c2)c1
InChIInChI=1S/C16H23N3O2/c1-13(2)12-21-16-5-3-4-15(8-16)17-9-14-10-18-19(11-14)6-7-20/h3-5,8,10-11,13,17,20H,6-7,9,12H2,1-2H3
InChIKeyFGFSABHKAQGGJV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.52
Rot. Bonds8

About 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol

2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64829217) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol
PubChem CID64829217
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol
SMILESCC(C)COc1cccc(NCc2cnn(CCO)c2)c1
InChIInChI=1S/C16H23N3O2/c1-13(2)12-21-16-5-3-4-15(8-16)17-9-14-10-18-19(11-14)6-7-20/h3-5,8,10-11,13,17,20H,6-7,9,12H2,1-2H3
InChIKeyFGFSABHKAQGGJV-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534
3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720531
2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
CID 66269059
2-[4-[(3-chloroanilino)methyl]pyrazol-1-yl]ethanol
CID 64830921
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
2-[4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64828612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol (CID 64829217) is 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol is CC(C)COc1cccc(NCc2cnn(CCO)c2)c1.
What is the InChIKey of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is FGFSABHKAQGGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)12-21-16-5-3-4-15(8-16)17-9-14-10-18-19(11-14)6-7-20/h3-5,8,10-11,13,17,20H,6-7,9,12H2,1-2H3.
What are the key properties of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).