2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol

C21H25N3O2 — CID 26392310

IUPAC2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C21H25N3O2/c1-3-23(12-13-25)15-18-16-24(19-9-5-4-6-10-19)22-21(18)17-8-7-11-20(14-17)26-2/h4-11,14,16,25H,3,12-13,15H2,1-2H3
InChIKeyZAOYGLWNUBECHD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds8

About 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol

2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol (PubChem CID 26392310) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol
PubChem CID26392310
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C21H25N3O2/c1-3-23(12-13-25)15-18-16-24(19-9-5-4-6-10-19)22-21(18)17-8-7-11-20(14-17)26-2/h4-11,14,16,25H,3,12-13,15H2,1-2H3
InChIKeyZAOYGLWNUBECHD-UHFFFAOYSA-N
XLogP3.36
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
CID 25479704
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol
CID 56852816

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol (CID 26392310) is 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol is CCN(CCO)Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1.
What is the InChIKey of 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol?
The InChIKey is ZAOYGLWNUBECHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-23(12-13-25)15-18-16-24(19-9-5-4-6-10-19)22-21(18)17-8-7-11-20(14-17)26-2/h4-11,14,16,25H,3,12-13,15H2,1-2H3.
What are the key properties of 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol?
2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol has a molecular weight of 351.45 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 26392310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).