(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene

C11H11N5O2 — CID 155272345

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene
SMILESCc1n[nH]c(C)c1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O2/c1-7-11(8(2)13-12-7)15-14-9-3-5-10(6-4-9)16(17)18/h3-6H,1-2H3,(H,12,13)/b15-14+
InChIKeyOJNVJAJPZYKYGG-CCEZHUSRSA-N
MW245.24 g/mol
LogP3.35
Rot. Bonds3

About (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene

(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene (PubChem CID 155272345) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene
PubChem CID155272345
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene
SMILESCc1n[nH]c(C)c1/N=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O2/c1-7-11(8(2)13-12-7)15-14-9-3-5-10(6-4-9)16(17)18/h3-6H,1-2H3,(H,12,13)/b15-14+
InChIKeyOJNVJAJPZYKYGG-CCEZHUSRSA-N
XLogP3.35
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[(4-nitrophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 5113368
methyl-(4-nitrophenyl)diazene
CID 20760343
(4-nitrophenyl)-phenyldiazene
CID 17222
N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43348964
5-methyl-4-[(4-nitrophenyl)diazenyl]-3-oxo-1H-pyrazole-2-carbothioamide
CID 3743456
4-[[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]diazenyl]phenol
CID 156630994
23-[[5-methyl-4-[(4-nitrophenyl)diazenyl]-1H-pyrazol-3-yl]diazenyl]-26,27,28-tris(phenylmethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-ol
CID 136776306
4-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile
CID 3109451
3-(methoxymethyl)-4-[(4-nitrophenyl)diazenyl]-2H-1,2-oxazol-5-one
CID 136714635
N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
3-methyl-4-(4-nitrophenyl)-1H-pyridazin-6-one
CID 10489682

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene (CID 155272345) is (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene is Cc1n[nH]c(C)c1/N=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene?
The InChIKey is OJNVJAJPZYKYGG-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-11(8(2)13-12-7)15-14-9-3-5-10(6-4-9)16(17)18/h3-6H,1-2H3,(H,12,13)/b15-14+.
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene?
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene has a molecular weight of 245.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene is sourced from PubChem (CID 155272345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).