2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol

C16H23N3O2 — CID 64829572

IUPAC2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
SMILESCCC(NCc1cnn(CCO)c1)c1ccccc1OC
InChIInChI=1S/C16H23N3O2/c1-3-15(14-6-4-5-7-16(14)21-2)17-10-13-11-18-19(12-13)8-9-20/h4-7,11-12,15,17,20H,3,8-10H2,1-2H3
InChIKeyNKBGYQCHJNKHFR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.12
Rot. Bonds8

About 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64829572) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64829572
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
SMILESCCC(NCc1cnn(CCO)c1)c1ccccc1OC
InChIInChI=1S/C16H23N3O2/c1-3-15(14-6-4-5-7-16(14)21-2)17-10-13-11-18-19(12-13)8-9-20/h4-7,11-12,15,17,20H,3,8-10H2,1-2H3
InChIKeyNKBGYQCHJNKHFR-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 115682303
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol
CID 64830398
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64831321
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol (CID 64829572) is 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol is CCC(NCc1cnn(CCO)c1)c1ccccc1OC.
What is the InChIKey of 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is NKBGYQCHJNKHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-15(14-6-4-5-7-16(14)21-2)17-10-13-11-18-19(12-13)8-9-20/h4-7,11-12,15,17,20H,3,8-10H2,1-2H3.
What are the key properties of 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).