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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
CID 77098022
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 22208347
1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
CID 22208359
(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 165423805
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]piperidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 155502619
6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24912861
ethyl 4-[(4-chlorophenyl)methyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxylate
CID 42377746
ethyl 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 42286901
(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 95142036
4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 22208364
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22208484
1-benzylsulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208310

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).