ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate

C14H11N5O2 — CID 166063201

IUPACethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3[nH]nc(C#N)c3c2)c1
InChIInChI=1S/C14H11N5O2/c1-2-21-14(20)9-7-16-19(8-9)10-3-4-12-11(5-10)13(6-15)18-17-12/h3-5,7-8H,2H2,1H3,(H,17,18)
InChIKeyBCZAMPRGEBKJQU-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.80
Rot. Bonds3

About ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate

ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate (PubChem CID 166063201) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate
PubChem CID166063201
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Nameethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3[nH]nc(C#N)c3c2)c1
InChIInChI=1S/C14H11N5O2/c1-2-21-14(20)9-7-16-19(8-9)10-3-4-12-11(5-10)13(6-15)18-17-12/h3-5,7-8H,2H2,1H3,(H,17,18)
InChIKeyBCZAMPRGEBKJQU-UHFFFAOYSA-N
XLogP1.80
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(3-cyano-1H-indazol-5-yl)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 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
CID 166063219
ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate
CID 86668145
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
CID 113320668
ethyl 1-(3-cyano-5-fluorophenyl)pyrazole-4-carboxylate
CID 102817682
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681
ethyl 1-(2-cyano-5-methylphenyl)pyrazole-4-carboxylate
CID 81498402
ethyl 1-[3-cyano-1-[1-(2-methylprop-2-enoyloxy)propan-2-yl]indol-5-yl]pyrazole-4-carboxylate
CID 67107352
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
CID 67586843
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
CID 81498617
ethyl 1-(3-bromo-4-cyano-2-fluorophenyl)pyrazole-4-carboxylate
CID 107534209

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate (CID 166063201) is ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc3[nH]nc(C#N)c3c2)c1.
What is the InChIKey of ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate?
The InChIKey is BCZAMPRGEBKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-2-21-14(20)9-7-16-19(8-9)10-3-4-12-11(5-10)13(6-15)18-17-12/h3-5,7-8H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate?
ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate has a molecular weight of 281.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyano-1H-indazol-5-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 166063201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).