1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine

C13H17FN4O2S — CID 102825547

IUPAC1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
SMILESCCCNc1nn(-c2ccccc2F)c(N)c1S(C)(=O)=O
InChIInChI=1S/C13H17FN4O2S/c1-3-8-16-13-11(21(2,19)20)12(15)18(17-13)10-7-5-4-6-9(10)14/h4-7H,3,8,15H2,1-2H3,(H,16,17)
InChIKeySVSNIBOBPQQQAR-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.82
Rot. Bonds5

About 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine

1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine (PubChem CID 102825547) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
PubChem CID102825547
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
SMILESCCCNc1nn(-c2ccccc2F)c(N)c1S(C)(=O)=O
InChIInChI=1S/C13H17FN4O2S/c1-3-8-16-13-11(21(2,19)20)12(15)18(17-13)10-7-5-4-6-9(10)14/h4-7H,3,8,15H2,1-2H3,(H,16,17)
InChIKeySVSNIBOBPQQQAR-UHFFFAOYSA-N
XLogP1.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine 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-(4-chlorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102825456
1-(5-bromo-2-pyridinyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102826367
1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093
3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile
CID 102825730
1-(2-fluorophenyl)-6-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 80726304
5-amino-3-ethyl-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 91231371
3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826168
ethyl 1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate
CID 10810302
1-[(4-chlorophenyl)methyl]-3-N-ethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826260
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
5-amino-3-(cyclopropylmethylamino)-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 102795506
1-(2-amino-3-fluorophenyl)sulfonyl-3-propylurea
CID 116645823

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
The IUPAC name of 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine (CID 102825547) is 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine is CCCNc1nn(-c2ccccc2F)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
The InChIKey is SVSNIBOBPQQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-3-8-16-13-11(21(2,19)20)12(15)18(17-13)10-7-5-4-6-9(10)14/h4-7H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine has a molecular weight of 312.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine is sourced from PubChem (CID 102825547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).