2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol

C16H23N3O3 — CID 83986534

IUPAC2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCOc1ccc(C(CN)c2cc(C)nn2CCO)c(OC)c1
InChIInChI=1S/C16H23N3O3/c1-11-8-15(19(18-11)6-7-20)14(10-17)13-5-4-12(21-2)9-16(13)22-3/h4-5,8-9,14,20H,6-7,10,17H2,1-3H3
InChIKeyFNPWQAZIOTYXJF-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.29
Rot. Bonds7

About 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol

2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 83986534) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID83986534
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
SMILESCOc1ccc(C(CN)c2cc(C)nn2CCO)c(OC)c1
InChIInChI=1S/C16H23N3O3/c1-11-8-15(19(18-11)6-7-20)14(10-17)13-5-4-12(21-2)9-16(13)22-3/h4-5,8-9,14,20H,6-7,10,17H2,1-3H3
InChIKeyFNPWQAZIOTYXJF-UHFFFAOYSA-N
XLogP1.29
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[2-amino-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83986689
2-[5-[2-amino-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83986670
2-[5-[2-amino-1-(1-ethylindol-3-yl)ethyl]-3-methylpyrazol-1-yl]ethanol
CID 83987659
2-[(2,4-dimethoxyphenyl)-(2-hydroxyethylsulfanyl)methyl]sulfanylethanol
CID 102497342
3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176320
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
[(2,5-dimethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105305109
4-[amino-(2,4-dimethoxyphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442655
(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397454
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol (CID 83986534) is 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol is COc1ccc(C(CN)c2cc(C)nn2CCO)c(OC)c1.
What is the InChIKey of 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is FNPWQAZIOTYXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-8-15(19(18-11)6-7-20)14(10-17)13-5-4-12(21-2)9-16(13)22-3/h4-5,8-9,14,20H,6-7,10,17H2,1-3H3.
What are the key properties of 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol?
2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 305.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-amino-1-(2,4-dimethoxyphenyl)ethyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 83986534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).