ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate

C15H19N5O4S — CID 27651880

IUPACethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H19N5O4S/c1-2-24-15(21)12-11-17-18-14(12)25(22,23)20-9-7-19(8-10-20)13-5-3-4-6-16-13/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyHUFOYMHODULGTA-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.49
Rot. Bonds5

About ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate

ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate (PubChem CID 27651880) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
PubChem CID27651880
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Nameethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H19N5O4S/c1-2-24-15(21)12-11-17-18-14(12)25(22,23)20-9-7-19(8-10-20)13-5-3-4-6-16-13/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyHUFOYMHODULGTA-UHFFFAOYSA-N
XLogP0.49
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate (CID 27651880) is ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
The InChIKey is HUFOYMHODULGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-2-24-15(21)12-11-17-18-14(12)25(22,23)20-9-7-19(8-10-20)13-5-3-4-6-16-13/h3-6,11H,2,7-10H2,1H3,(H,17,18).
What are the key properties of ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate?
ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate has a molecular weight of 365.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 27651880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).