3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C14H23N7O2S — CID 123138069

IUPAC3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N7O2S/c1-3-4-11-9-14(19-18-11)17-12(15)10-13(16)20-5-7-21(8-6-20)24(2,22)23/h3-4,9,16H,5-8,10H2,1-2H3,(H3,15,17,18,19)/b4-3+,16-13+
InChIKeyDJXGOVVMXCCSIA-KQQNAHMPSA-N
MW353.45 g/mol
LogP0.38
Rot. Bonds5

About 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123138069) has the molecular formula C14H23N7O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123138069
Molecular FormulaC14H23N7O2S
Molecular Weight353.45 g/mol
Exact Mass353.16
IUPAC Name3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N7O2S/c1-3-4-11-9-14(19-18-11)17-12(15)10-13(16)20-5-7-21(8-6-20)24(2,22)23/h3-4,9,16H,5-8,10H2,1-2H3,(H3,15,17,18,19)/b4-3+,16-13+
InChIKeyDJXGOVVMXCCSIA-KQQNAHMPSA-N
XLogP0.38
TPSA131.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide 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

3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123693705
3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123856406
3-(4-fluoropiperidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123901834
3-imino-3-(4-methylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123139855
3-[3-(diethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123195825
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-thiomorpholin-4-ylpropanimidamide
CID 123220170
2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide
CID 123256441
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 123307908
3-(4-ethylpiperazin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123310452
3-imino-3-piperazin-1-yl-N'-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123333221
3-(4-ethyl-3-oxopiperazin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123370443
N'-[5-(3,4-dihydropyridin-6-yl)-1H-pyrazol-3-yl]-3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
CID 123381443

Frequently Asked Questions

What is the IUPAC name of 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123138069) is 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is DJXGOVVMXCCSIA-KQQNAHMPSA-N. The full InChI is InChI=1S/C14H23N7O2S/c1-3-4-11-9-14(19-18-11)17-12(15)10-13(16)20-5-7-21(8-6-20)24(2,22)23/h3-4,9,16H,5-8,10H2,1-2H3,(H3,15,17,18,19)/b4-3+,16-13+.
What are the key properties of 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 353.45 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123138069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).