ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate

C17H21N5O3 — CID 169144475

IUPACethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(N3CCN(C(C)=O)CC3)cn2)c1
InChIInChI=1S/C17H21N5O3/c1-3-25-17(24)14-10-19-22(12-14)16-5-4-15(11-18-16)21-8-6-20(7-9-21)13(2)23/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyOIMSTNKTDSRJPL-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.11
Rot. Bonds4

About ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate

ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 169144475) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID169144475
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nameethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(N3CCN(C(C)=O)CC3)cn2)c1
InChIInChI=1S/C17H21N5O3/c1-3-25-17(24)14-10-19-22(12-14)16-5-4-15(11-18-16)21-8-6-20(7-9-21)13(2)23/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyOIMSTNKTDSRJPL-UHFFFAOYSA-N
XLogP1.11
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate (CID 169144475) is ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(N3CCN(C(C)=O)CC3)cn2)c1.
What is the InChIKey of ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is OIMSTNKTDSRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-25-17(24)14-10-19-22(12-14)16-5-4-15(11-18-16)21-8-6-20(7-9-21)13(2)23/h4-5,10-12H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 169144475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).