ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

C18H19N3O2 — CID 15103621

IUPACethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(cnn2-c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)15-10-16-14(17(20-15)12(2)3)11-19-21(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZWRSPSKNBSACPY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.72
Rot. Bonds4

About ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (PubChem CID 15103621) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
PubChem CID15103621
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(cnn2-c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)15-10-16-14(17(20-15)12(2)3)11-19-21(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZWRSPSKNBSACPY-UHFFFAOYSA-N
XLogP3.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-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 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl (2R)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanoate
CID 136801862
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
diethyl 8-methyl-3,13-bis(1-phenylpropyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-dicarboxylate
CID 11801049
ethyl 10-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 53483485
ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135957256
ethyl 2-[[2-(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)acetyl]amino]benzoate
CID 16846967
ethyl 4-methyl-1-phenylpyrazole-5-carboxylate;4-methyl-1-phenylpyrazole-5-carboxylic acid
CID 161129346
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
ethyl 4-formyl-1-phenylpyrazole-5-carboxylate
CID 112757155
ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate
CID 177322959
ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 22831913

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (CID 15103621) is ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is CCOC(=O)c1cc2c(cnn2-c2ccccc2)c(C(C)C)n1.
What is the InChIKey of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The InChIKey is ZWRSPSKNBSACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-23-18(22)15-10-16-14(17(20-15)12(2)3)11-19-21(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 15103621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).