ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate

C18H19N5O2 — CID 166063219

IUPACethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3c(c2)c(C#N)nn3CC(C)C)c1
InChIInChI=1S/C18H19N5O2/c1-4-25-18(24)13-9-20-22(11-13)14-5-6-17-15(7-14)16(8-19)21-23(17)10-12(2)3/h5-7,9,11-12H,4,10H2,1-3H3
InChIKeyUMGBREGEWTUIGL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.93
Rot. Bonds5

About ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate

ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate (PubChem CID 166063219) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
PubChem CID166063219
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Nameethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3c(c2)c(C#N)nn3CC(C)C)c1
InChIInChI=1S/C18H19N5O2/c1-4-25-18(24)13-9-20-22(11-13)14-5-6-17-15(7-14)16(8-19)21-23(17)10-12(2)3/h5-7,9,11-12H,4,10H2,1-3H3
InChIKeyUMGBREGEWTUIGL-UHFFFAOYSA-N
XLogP2.93
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[3-cyano-1-(2-methylpropyl)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-1H-indazol-5-yl)pyrazole-4-carboxylate
CID 166063201
ethyl 1-[3-cyano-1-[1-(2-methylprop-2-enoyloxy)propan-2-yl]indol-5-yl]pyrazole-4-carboxylate
CID 67107352
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
CID 113320668
ethyl 1-(2-cyano-5-methylphenyl)pyrazole-4-carboxylate
CID 81498402
ethyl 1-(3-cyano-5-fluorophenyl)pyrazole-4-carboxylate
CID 102817682
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681
ethyl 1-(3-formyl-1H-indol-5-yl)pyrazole-4-carboxylate
CID 86668145
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
1-(3-cyano-1-propan-2-ylindazol-5-yl)pyrazole-4-carboxylic acid;3-phenylprop-2-enoic acid
CID 175462334
ethyl 2-(3-cyano-1-propan-2-ylindol-5-yl)-5-methyltriazole-4-carboxylate
CID 166063194
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
2-methylpropyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate
CID 130325086

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate (CID 166063219) is ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc3c(c2)c(C#N)nn3CC(C)C)c1.
What is the InChIKey of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
The InChIKey is UMGBREGEWTUIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-4-25-18(24)13-9-20-22(11-13)14-5-6-17-15(7-14)16(8-19)21-23(17)10-12(2)3/h5-7,9,11-12H,4,10H2,1-3H3.
What are the key properties of ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate?
ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-cyano-1-(2-methylpropyl)indazol-5-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 166063219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).