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

Name: Methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₉N₅O₄S — CID 115533477

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate
PubChem CID	115533477
Molecular Formula	C₁₁H₁₉N₅O₄S
Molecular Weight	317.37 g/mol
Exact Mass	317.12
IUPAC Name	methyl 3-[4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]propanoate
SMILES	COC(=O)CCN1CCN(S(=O)(=O)c2cn[nH]c2N)CC1
InChI	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)
InChIKey	MPNSLFVQADUEDW-UHFFFAOYSA-N
XLogP	-1.14
TPSA	121.62 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.37
LogP ≤ 5	-1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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).

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Sources

PubChem CID 115533477 — identifiers, structure, computed properties (public domain)

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