1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide

C14H20N4O2S — CID 62040239

IUPAC1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H20N4O2S/c1-11-13(9-16-18-11)5-3-7-17-21(19,20)10-12-4-2-6-14(15)8-12/h2,4,6,8-9,17H,3,5,7,10,15H2,1H3,(H,16,18)
InChIKeyVDPLUETTXUJLHO-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.35
Rot. Bonds7

About 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide

1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide (PubChem CID 62040239) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
PubChem CID62040239
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
SMILESCc1[nH]ncc1CCCNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H20N4O2S/c1-11-13(9-16-18-11)5-3-7-17-21(19,20)10-12-4-2-6-14(15)8-12/h2,4,6,8-9,17H,3,5,7,10,15H2,1H3,(H,16,18)
InChIKeyVDPLUETTXUJLHO-UHFFFAOYSA-N
XLogP1.35
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
1-(3-aminophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64517241
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 62040735
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 62041099
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butane-1-sulfonamide
CID 63855885
2-(ethylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62038196
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide (CID 62040239) is 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide is Cc1[nH]ncc1CCCNS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide?
The InChIKey is VDPLUETTXUJLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-13(9-16-18-11)5-3-7-17-21(19,20)10-12-4-2-6-14(15)8-12/h2,4,6,8-9,17H,3,5,7,10,15H2,1H3,(H,16,18).
What are the key properties of 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide?
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide is sourced from PubChem (CID 62040239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).