[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine

C14H20N4O2S — CID 105288442

IUPAC[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C14H20N4O2S/c1-3-7-18-10-12(9-16-18)14(17-15)11-5-4-6-13(8-11)21(2,19)20/h4-6,8-10,14,17H,3,7,15H2,1-2H3
InChIKeyAPPGSYZNCNNZHH-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.25
Rot. Bonds6

About [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine

[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105288442) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
PubChem CID105288442
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C14H20N4O2S/c1-3-7-18-10-12(9-16-18)14(17-15)11-5-4-6-13(8-11)21(2,19)20/h4-6,8-10,14,17H,3,7,15H2,1-2H3
InChIKeyAPPGSYZNCNNZHH-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine 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

[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
[2,3-dihydro-1H-inden-5-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288546
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105197955
[(4-fluoro-3-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288515
[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288494
[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105288436
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
[(1-methylpyrazol-4-yl)-(3-propylphenyl)methyl]hydrazine
CID 105228480

Frequently Asked Questions

What is the IUPAC name of [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine (CID 105288442) is [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine is CCCn1cc(C(NN)c2cccc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is APPGSYZNCNNZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-7-18-10-12(9-16-18)14(17-15)11-5-4-6-13(8-11)21(2,19)20/h4-6,8-10,14,17H,3,7,15H2,1-2H3.
What are the key properties of [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 308.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105288442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).