4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol

C14H21N7O — CID 135744089

IUPAC4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cc(/N=N/c2c(N)n[nH]c2N)ccc1O
InChIInChI=1S/C14H21N7O/c1-3-21(4-2)8-9-7-10(5-6-11(9)22)17-18-12-13(15)19-20-14(12)16/h5-7,22H,3-4,8H2,1-2H3,(H5,15,16,19,20)/b18-17+
InChIKeySBKIVEJSVLCBJV-ISLYRVAYSA-N
MW303.37 g/mol
LogP2.54
Rot. Bonds6

About 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol

4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol (PubChem CID 135744089) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol.

Molecular Properties

Compound Name4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol
PubChem CID135744089
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol
SMILESCCN(CC)Cc1cc(/N=N/c2c(N)n[nH]c2N)ccc1O
InChIInChI=1S/C14H21N7O/c1-3-21(4-2)8-9-7-10(5-6-11(9)22)17-18-12-13(15)19-20-14(12)16/h5-7,22H,3-4,8H2,1-2H3,(H5,15,16,19,20)/b18-17+
InChIKeySBKIVEJSVLCBJV-ISLYRVAYSA-N
XLogP2.54
TPSA128.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol?
The IUPAC name of 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol (CID 135744089) is 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol.
What is the SMILES notation for 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol?
The canonical SMILES for 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol is CCN(CC)Cc1cc(/N=N/c2c(N)n[nH]c2N)ccc1O.
What is the InChIKey of 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol?
The InChIKey is SBKIVEJSVLCBJV-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-3-21(4-2)8-9-7-10(5-6-11(9)22)17-18-12-13(15)19-20-14(12)16/h5-7,22H,3-4,8H2,1-2H3,(H5,15,16,19,20)/b18-17+.
What are the key properties of 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol?
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol has a molecular weight of 303.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-2-(diethylaminomethyl)phenol is sourced from PubChem (CID 135744089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).