N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine

C17H15F2N3O2S — CID 154980084

IUPACN-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine
SMILESCS(=O)(=O)c1ccccc1-n1cc(NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C17H15F2N3O2S/c1-25(23,24)17-5-3-2-4-16(17)22-11-14(10-21-22)20-9-12-8-13(18)6-7-15(12)19/h2-8,10-11,20H,9H2,1H3
InChIKeySNNRPLKBJCBFGB-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.17
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine

N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine (PubChem CID 154980084) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine
PubChem CID154980084
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine
SMILESCS(=O)(=O)c1ccccc1-n1cc(NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C17H15F2N3O2S/c1-25(23,24)17-5-3-2-4-16(17)22-11-14(10-21-22)20-9-12-8-13(18)6-7-15(12)19/h2-8,10-11,20H,9H2,1H3
InChIKeySNNRPLKBJCBFGB-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine (CID 154980084) is N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine is CS(=O)(=O)c1ccccc1-n1cc(NCc2cc(F)ccc2F)cn1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine?
The InChIKey is SNNRPLKBJCBFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-25(23,24)17-5-3-2-4-16(17)22-11-14(10-21-22)20-9-12-8-13(18)6-7-15(12)19/h2-8,10-11,20H,9H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine?
N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine has a molecular weight of 363.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(2-methylsulfonylphenyl)pyrazol-4-amine is sourced from PubChem (CID 154980084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).