4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine

C13H25N5O2S — CID 63604730

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CCN(CC)C(C)C2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-4-6-17-10-12(13(14)15-17)21(19,20)18-8-7-16(5-2)11(3)9-18/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyWLQXJQQCIPKODN-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.59
Rot. Bonds5

About 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine

4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine (PubChem CID 63604730) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine
PubChem CID63604730
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine
SMILESCCCn1cc(S(=O)(=O)N2CCN(CC)C(C)C2)c(N)n1
InChIInChI=1S/C13H25N5O2S/c1-4-6-17-10-12(13(14)15-17)21(19,20)18-8-7-16(5-2)11(3)9-18/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyWLQXJQQCIPKODN-UHFFFAOYSA-N
XLogP0.59
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine (CID 63604730) is 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine is CCCn1cc(S(=O)(=O)N2CCN(CC)C(C)C2)c(N)n1.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine?
The InChIKey is WLQXJQQCIPKODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-6-17-10-12(13(14)15-17)21(19,20)18-8-7-16(5-2)11(3)9-18/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine?
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine has a molecular weight of 315.44 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-1-propylpyrazol-3-amine is sourced from PubChem (CID 63604730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).