4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide

C12H23N5O2S — CID 77086335

IUPAC4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCCCn1ncc(CN2CCN(S(N)(=O)=O)CC2)c1C
InChIInChI=1S/C12H23N5O2S/c1-3-4-17-11(2)12(9-14-17)10-15-5-7-16(8-6-15)20(13,18)19/h9H,3-8,10H2,1-2H3,(H2,13,18,19)
InChIKeyIHMIRSONGMSZDU-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.08
Rot. Bonds5

About 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide

4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide (PubChem CID 77086335) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
PubChem CID77086335
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCCCn1ncc(CN2CCN(S(N)(=O)=O)CC2)c1C
InChIInChI=1S/C12H23N5O2S/c1-3-4-17-11(2)12(9-14-17)10-15-5-7-16(8-6-15)20(13,18)19/h9H,3-8,10H2,1-2H3,(H2,13,18,19)
InChIKeyIHMIRSONGMSZDU-UHFFFAOYSA-N
XLogP-0.08
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide (CID 77086335) is 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide is CCCn1ncc(CN2CCN(S(N)(=O)=O)CC2)c1C.
What is the InChIKey of 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is IHMIRSONGMSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-3-4-17-11(2)12(9-14-17)10-15-5-7-16(8-6-15)20(13,18)19/h9H,3-8,10H2,1-2H3,(H2,13,18,19).
What are the key properties of 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 77086335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).