[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine

C17H17N3O2S — CID 52951388

IUPAC[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-n2nc(CN)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-23(21,22)16-9-7-15(8-10-16)20-17(11-14(12-18)19-20)13-5-3-2-4-6-13/h2-11H,12,18H2,1H3
InChIKeyVNTPACQKADYJTN-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.40
Rot. Bonds4

About [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine

[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine (PubChem CID 52951388) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
PubChem CID52951388
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
SMILESCS(=O)(=O)c1ccc(-n2nc(CN)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O2S/c1-23(21,22)16-9-7-15(8-10-16)20-17(11-14(12-18)19-20)13-5-3-2-4-6-13/h2-11H,12,18H2,1H3
InChIKeyVNTPACQKADYJTN-UHFFFAOYSA-N
XLogP2.40
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl methanesulfonate
CID 102024342
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
1-[[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl]-3-phenylurea
CID 52951487
[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 86584958
4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline
CID 19886132
1-[[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 52951612
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
4-[3-(methylamino)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 22315384
3-(bromomethyl)-1-(4-methylphenyl)-5-phenylpyrazole
CID 11404650
1-(4-methylsulfonylphenyl)-3-phenylpyrazole-5-carboxylic acid
CID 91871448
N-methyl-4-[3-methylsulfonyl-5-(4-methylsulfonylphenyl)pyrazol-1-yl]aniline
CID 19886219
3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol
CID 10251337

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine (CID 52951388) is [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine is CS(=O)(=O)c1ccc(-n2nc(CN)cc2-c2ccccc2)cc1.
What is the InChIKey of [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine?
The InChIKey is VNTPACQKADYJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-23(21,22)16-9-7-15(8-10-16)20-17(11-14(12-18)19-20)13-5-3-2-4-6-13/h2-11H,12,18H2,1H3.
What are the key properties of [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine?
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine has a molecular weight of 327.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine is sourced from PubChem (CID 52951388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).