1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide

C9H17N5O2S — CID 174286810

IUPAC1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide
SMILESCn1ncc(CN2CCNCC2)c1S(N)(=O)=O
InChIInChI=1S/C9H17N5O2S/c1-13-9(17(10,15)16)8(6-12-13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H2,10,15,16)
InChIKeyRIWIIBZHKJFVNH-UHFFFAOYSA-N
MW259.33 g/mol
LogP-1.53
Rot. Bonds3

About 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide

1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide (PubChem CID 174286810) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide
PubChem CID174286810
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide
SMILESCn1ncc(CN2CCNCC2)c1S(N)(=O)=O
InChIInChI=1S/C9H17N5O2S/c1-13-9(17(10,15)16)8(6-12-13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H2,10,15,16)
InChIKeyRIWIIBZHKJFVNH-UHFFFAOYSA-N
XLogP-1.53
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(piperazin-1-ylmethyl)pyrazol-5-amine
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3-fluoro-2-methylsulfonyl-4-(piperazin-1-ylmethyl)phenol
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1-[(2-ethylphenyl)methyl]piperazine
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2-piperazin-1-ylethanesulfonamide
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1-[(4-methyl-3-pyridinyl)methyl]piperazine
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1-[(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117410722
1-methyl-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 79678428
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
CID 77086335
1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
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5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82510651

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide?
The IUPAC name of 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide (CID 174286810) is 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide?
The canonical SMILES for 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide is Cn1ncc(CN2CCNCC2)c1S(N)(=O)=O.
What is the InChIKey of 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide?
The InChIKey is RIWIIBZHKJFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-13-9(17(10,15)16)8(6-12-13)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H2,10,15,16).
What are the key properties of 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide?
1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperazin-1-ylmethyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 174286810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).