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

C14H19N7O — CID 136641461

IUPAC4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCc1cc(C2COCCN2)ccc1/N=N/c1c(N)n[nH]c1N
InChIInChI=1S/C14H19N7O/c1-8-6-9(11-7-22-5-4-17-11)2-3-10(8)18-19-12-13(15)20-21-14(12)16/h2-3,6,11,17H,4-5,7H2,1H3,(H5,15,16,20,21)/b19-18+
InChIKeyRUMACKQLWWVDAM-VHEBQXMUSA-N
MW301.35 g/mol
LogP1.96
Rot. Bonds3

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

4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 136641461) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID136641461
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCc1cc(C2COCCN2)ccc1/N=N/c1c(N)n[nH]c1N
InChIInChI=1S/C14H19N7O/c1-8-6-9(11-7-22-5-4-17-11)2-3-10(8)18-19-12-13(15)20-21-14(12)16/h2-3,6,11,17H,4-5,7H2,1H3,(H5,15,16,20,21)/b19-18+
InChIKeyRUMACKQLWWVDAM-VHEBQXMUSA-N
XLogP1.96
TPSA126.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 136641461) is 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is Cc1cc(C2COCCN2)ccc1/N=N/c1c(N)n[nH]c1N.
What is the InChIKey of 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is RUMACKQLWWVDAM-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H19N7O/c1-8-6-9(11-7-22-5-4-17-11)2-3-10(8)18-19-12-13(15)20-21-14(12)16/h2-3,6,11,17H,4-5,7H2,1H3,(H5,15,16,20,21)/b19-18+.
What are the key properties of 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 301.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 136641461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).