methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate

C11H19N5O4S — CID 115533477

IUPACmethyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H19N5O4S/c1-20-10(17)2-3-15-4-6-16(7-5-15)21(18,19)9-8-13-14-11(9)12/h8H,2-7H2,1H3,(H3,12,13,14)
InChIKeyMPNSLFVQADUEDW-UHFFFAOYSA-N
MW317.37 g/mol
LogP-1.14
Rot. Bonds5

About methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate

methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate (PubChem CID 115533477) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate
PubChem CID115533477
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Namemethyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C11H19N5O4S/c1-20-10(17)2-3-15-4-6-16(7-5-15)21(18,19)9-8-13-14-11(9)12/h8H,2-7H2,1H3,(H3,12,13,14)
InChIKeyMPNSLFVQADUEDW-UHFFFAOYSA-N
XLogP-1.14
TPSA121.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]propanoate
CID 61110740
methyl 3-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propanoate
CID 47400673
5-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54861083
1-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 54922751
5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54922848
4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
CID 54923130
3-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]propanoic acid
CID 54937015
methyl 3-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]propanoate
CID 54997234
methyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate
CID 54997832
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-ethylamino]acetate
CID 55002062
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-propylamino]acetate
CID 55003430
4-(3,4-dimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-5-amine
CID 55216172

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate (CID 115533477) is methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate?
The InChIKey is MPNSLFVQADUEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-20-10(17)2-3-15-4-6-16(7-5-15)21(18,19)9-8-13-14-11(9)12/h8H,2-7H2,1H3,(H3,12,13,14).
What are the key properties of methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate has a molecular weight of 317.37 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 115533477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).