ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate

C17H22N6O2 — CID 46980282

IUPACethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1cncn1CC(C)n1nc(C)cc1C
InChIInChI=1S/C17H22N6O2/c1-5-25-17(24)16-14(7-19-20-16)15-8-18-10-22(15)9-13(4)23-12(3)6-11(2)21-23/h6-8,10,13H,5,9H2,1-4H3,(H,19,20)
InChIKeyMYIQGGUJWJUYCP-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.52
Rot. Bonds6

About ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate

ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate (PubChem CID 46980282) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
PubChem CID46980282
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Nameethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1cncn1CC(C)n1nc(C)cc1C
InChIInChI=1S/C17H22N6O2/c1-5-25-17(24)16-14(7-19-20-16)15-8-18-10-22(15)9-13(4)23-12(3)6-11(2)21-23/h6-8,10,13H,5,9H2,1-4H3,(H,19,20)
InChIKeyMYIQGGUJWJUYCP-UHFFFAOYSA-N
XLogP2.52
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate (CID 46980282) is ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1-c1cncn1CC(C)n1nc(C)cc1C.
What is the InChIKey of ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The InChIKey is MYIQGGUJWJUYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-5-25-17(24)16-14(7-19-20-16)15-8-18-10-22(15)9-13(4)23-12(3)6-11(2)21-23/h6-8,10,13H,5,9H2,1-4H3,(H,19,20).
What are the key properties of ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate?
ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 46980282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).