2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

C14H18BrN3O — CID 64830577

IUPAC2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCC(NCc1cnn(CCO)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11(13-2-4-14(15)5-3-13)16-8-12-9-17-18(10-12)6-7-19/h2-5,9-11,16,19H,6-8H2,1H3
InChIKeyQQEJZEKYKXTSHC-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.49
Rot. Bonds6

About 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64830577) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64830577
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESCC(NCc1cnn(CCO)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN3O/c1-11(13-2-4-14(15)5-3-13)16-8-12-9-17-18(10-12)6-7-19/h2-5,9-11,16,19H,6-8H2,1H3
InChIKeyQQEJZEKYKXTSHC-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
(1S)-1-(4-bromophenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 97073564
2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
1-(4-bromophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66398996
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
[3-[[1-(4-bromophenyl)ethylamino]methyl]phenyl]methanol
CID 103729618

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 64830577) is 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is CC(NCc1cnn(CCO)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is QQEJZEKYKXTSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-11(13-2-4-14(15)5-3-13)16-8-12-9-17-18(10-12)6-7-19/h2-5,9-11,16,19H,6-8H2,1H3.
What are the key properties of 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64830577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).