4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine

C15H21N7O2 — CID 136610658

IUPAC4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/N=N/c2c(N)n[nH]c2N)c(C)c1N1CCOCC1
InChIInChI=1S/C15H21N7O2/c1-9-10(18-19-12-14(16)20-21-15(12)17)3-4-11(23-2)13(9)22-5-7-24-8-6-22/h3-4H,5-8H2,1-2H3,(H5,16,17,20,21)/b19-18+
InChIKeyKENDDAUXTHVTRP-VHEBQXMUSA-N
MW331.38 g/mol
LogP2.14
Rot. Bonds4

About 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 136610658) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID136610658
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc(/N=N/c2c(N)n[nH]c2N)c(C)c1N1CCOCC1
InChIInChI=1S/C15H21N7O2/c1-9-10(18-19-12-14(16)20-21-15(12)17)3-4-11(23-2)13(9)22-5-7-24-8-6-22/h3-4H,5-8H2,1-2H3,(H5,16,17,20,21)/b19-18+
InChIKeyKENDDAUXTHVTRP-VHEBQXMUSA-N
XLogP2.14
TPSA127.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(6-morpholin-4-yl-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744084
4-[(2,4-difluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135520424
4-amino-6,7-dimethoxy-3-morpholin-4-yl-1H-quinolin-2-one
CID 110169094
4-[5-(2,6-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162638224
4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine
CID 167231482
4-amino-5-[[4-(4-fluorophenyl)phenyl]diazenyl]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
CID 86578852
5-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117465926
3-amino-5-methoxy-4-morpholin-4-ylbenzamide
CID 166624983
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
2-amino-8-methoxy-5-morpholin-4-ylquinoline-3-carbonitrile
CID 86049209
bis((2-methoxy-4-morpholin-4-ylphenyl)diazene);chloride
CID 123629300

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 136610658) is 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is COc1ccc(/N=N/c2c(N)n[nH]c2N)c(C)c1N1CCOCC1.
What is the InChIKey of 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is KENDDAUXTHVTRP-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-9-10(18-19-12-14(16)20-21-15(12)17)3-4-11(23-2)13(9)22-5-7-24-8-6-22/h3-4H,5-8H2,1-2H3,(H5,16,17,20,21)/b19-18+.
What are the key properties of 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 331.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-methyl-3-morpholin-4-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 136610658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).