ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate

C17H25N5O2 — CID 46980275

IUPACethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1cncn1CC(C)N1CCCCC1
InChIInChI=1S/C17H25N5O2/c1-3-24-17(23)16-14(9-19-20-16)15-10-18-12-22(15)11-13(2)21-7-5-4-6-8-21/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyLOSFUBOTNSISRR-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.32
Rot. Bonds6

About ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate

ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate (PubChem CID 46980275) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate
PubChem CID46980275
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nameethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1-c1cncn1CC(C)N1CCCCC1
InChIInChI=1S/C17H25N5O2/c1-3-24-17(23)16-14(9-19-20-16)15-10-18-12-22(15)11-13(2)21-7-5-4-6-8-21/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyLOSFUBOTNSISRR-UHFFFAOYSA-N
XLogP2.32
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate (CID 46980275) is ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1-c1cncn1CC(C)N1CCCCC1.
What is the InChIKey of ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate?
The InChIKey is LOSFUBOTNSISRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-24-17(23)16-14(9-19-20-16)15-10-18-12-22(15)11-13(2)21-7-5-4-6-8-21/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate?
ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 46980275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).