ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate

C10H17N5O4S — CID 61108715

IUPACethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C10H17N5O4S/c1-2-19-10(16)14-3-5-15(6-4-14)20(17,18)8-7-12-13-9(8)11/h7H,2-6H2,1H3,(H3,11,12,13)
InChIKeyMUNFMFACCHBSMY-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.55
Rot. Bonds3

About ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate

ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate (PubChem CID 61108715) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate
PubChem CID61108715
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Nameethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C10H17N5O4S/c1-2-19-10(16)14-3-5-15(6-4-14)20(17,18)8-7-12-13-9(8)11/h7H,2-6H2,1H3,(H3,11,12,13)
InChIKeyMUNFMFACCHBSMY-UHFFFAOYSA-N
XLogP-0.55
TPSA121.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate (CID 61108715) is ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate?
The InChIKey is MUNFMFACCHBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-2-19-10(16)14-3-5-15(6-4-14)20(17,18)8-7-12-13-9(8)11/h7H,2-6H2,1H3,(H3,11,12,13).
What are the key properties of ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate?
ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate has a molecular weight of 303.34 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carboxylate is sourced from PubChem (CID 61108715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).