1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine

C21H24N4O2 — CID 161408608

IUPAC1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H24N4O2/c22-21-16-20(17-5-2-1-3-6-17)23-25(21)18-7-4-8-19(15-18)27-14-11-24-9-12-26-13-10-24/h1-8,15-16H,9-14,22H2
InChIKeyVVEGGGLTHZTVAV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.83
Rot. Bonds6

About 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine

1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine (PubChem CID 161408608) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
PubChem CID161408608
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H24N4O2/c22-21-16-20(17-5-2-1-3-6-17)23-25(21)18-7-4-8-19(15-18)27-14-11-24-9-12-26-13-10-24/h1-8,15-16H,9-14,22H2
InChIKeyVVEGGGLTHZTVAV-UHFFFAOYSA-N
XLogP2.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

but-2-enedioic acid;4-[2-[3-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)phenoxy]ethyl]morpholine
CID 67800771
4-amino-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330854
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478
3-(morpholin-4-ylmethyl)-1-phenylpyrazol-5-amine
CID 82171782
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine?
The IUPAC name of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine (CID 161408608) is 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine?
The InChIKey is VVEGGGLTHZTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-21-16-20(17-5-2-1-3-6-17)23-25(21)18-7-4-8-19(15-18)27-14-11-24-9-12-26-13-10-24/h1-8,15-16H,9-14,22H2.
What are the key properties of 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine?
1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine has a molecular weight of 364.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine is sourced from PubChem (CID 161408608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).