ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate

C8H13N5O2 — CID 135478706

IUPACethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1/N=N/N(C)C
InChIInChI=1S/C8H13N5O2/c1-4-15-8(14)6-5-9-10-7(6)11-12-13(2)3/h5H,4H2,1-3H3,(H,9,10)/b12-11+
InChIKeyNSPHOSJPVHHXCL-VAWYXSNFSA-N
MW211.22 g/mol
LogP1.15
Rot. Bonds4

About ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate (PubChem CID 135478706) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate
PubChem CID135478706
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Nameethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1/N=N/N(C)C
InChIInChI=1S/C8H13N5O2/c1-4-15-8(14)6-5-9-10-7(6)11-12-13(2)3/h5H,4H2,1-3H3,(H,9,10)/b12-11+
InChIKeyNSPHOSJPVHHXCL-VAWYXSNFSA-N
XLogP1.15
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.15
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-1H-pyrazole-4-carboxylate
CID 81472
ethyl 1H-pyrazole-4-carboxylate
CID 142179
Methyl 3-amino-1H-pyrazole-4-carboxylate
CID 272904
Pyrazole-4-carboxylic acid, 5-(N,N-dimethylformimidoyl)-, ethyl ester
CID 9554631
Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate
CID 3797861
Ethyl 5-(formylamino)-1H-pyrazole-4-carboxylate
CID 13926581
Ethyl 3-iodo-1H-pyrazole-4-carboxylate
CID 45480481
Pyrazole-4-carboxylic acid, 5-(N,N,1-trimethylformimidoyl)-, ethyl ester
CID 9588007
Pyrazole-4-carboxylic acid, 5-((1-methyl-2-pyrrolidinylidene)amino)-, ethyl ester
CID 9588008
Pyrazole-4-carboxylic acid, 5-((1-methyl-2-piperidylidene)amino)-, ethyl ester
CID 9588009
Pyrazole-4-carboxylic acid, 5-((1-methylhexahydro-1H-azepin-2-ylidene)amino)-, ethyl ester
CID 9588010
ethyl 5-fluoro-1H-pyrazole-4-carboxylate
CID 56956182

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate (CID 135478706) is ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1/N=N/N(C)C.
What is the InChIKey of ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate?
The InChIKey is NSPHOSJPVHHXCL-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-4-15-8(14)6-5-9-10-7(6)11-12-13(2)3/h5H,4H2,1-3H3,(H,9,10)/b12-11+.
What are the key properties of ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-dimethylaminodiazenyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 135478706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).