4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol

C16H23N3O2 — CID 64829211

IUPAC4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1cnn(CCO)c1
InChIInChI=1S/C16H23N3O2/c1-13(2-3-14-4-6-16(21)7-5-14)17-10-15-11-18-19(12-15)8-9-20/h4-7,11-13,17,20-21H,2-3,8-10H2,1H3
InChIKeyFLLXTXNDTIOSDV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.69
Rot. Bonds8

About 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol

4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol (PubChem CID 64829211) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
PubChem CID64829211
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1cnn(CCO)c1
InChIInChI=1S/C16H23N3O2/c1-13(2-3-14-4-6-16(21)7-5-14)17-10-15-11-18-19(12-15)8-9-20/h4-7,11-13,17,20-21H,2-3,8-10H2,1H3
InChIKeyFLLXTXNDTIOSDV-UHFFFAOYSA-N
XLogP1.69
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830577
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol?
The IUPAC name of 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol (CID 64829211) is 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCc1cnn(CCO)c1.
What is the InChIKey of 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol?
The InChIKey is FLLXTXNDTIOSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2-3-14-4-6-16(21)7-5-14)17-10-15-11-18-19(12-15)8-9-20/h4-7,11-13,17,20-21H,2-3,8-10H2,1H3.
What are the key properties of 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol?
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol has a molecular weight of 289.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol is sourced from PubChem (CID 64829211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).