4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine

C11H12FN3O3S — CID 117459290

IUPAC4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)cc(F)cc1S(C)(=O)=O
InChIInChI=1S/C11H12FN3O3S/c1-18-10-7(8-5-14-15-11(8)13)3-6(12)4-9(10)19(2,16)17/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyVMNZCQFUUYZHNU-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.21
Rot. Bonds3

About 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine

4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine (PubChem CID 117459290) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
PubChem CID117459290
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)cc(F)cc1S(C)(=O)=O
InChIInChI=1S/C11H12FN3O3S/c1-18-10-7(8-5-14-15-11(8)13)3-6(12)4-9(10)19(2,16)17/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyVMNZCQFUUYZHNU-UHFFFAOYSA-N
XLogP1.21
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine 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-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452228
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117455217
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117435379
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117432033

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine (CID 117459290) is 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine is COc1c(-c2cn[nH]c2N)cc(F)cc1S(C)(=O)=O.
What is the InChIKey of 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The InChIKey is VMNZCQFUUYZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-18-10-7(8-5-14-15-11(8)13)3-6(12)4-9(10)19(2,16)17/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine?
4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine has a molecular weight of 285.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117459290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).