N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide

C14H20N4O2S — CID 63230617

IUPACN-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H20N4O2S/c1-4-9-18(13-8-6-5-7-12(13)15)21(19,20)14-10(2)16-17-11(14)3/h5-8H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyBWCBVHNPOSPBKB-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.21
Rot. Bonds5

About N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide

N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide (PubChem CID 63230617) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
PubChem CID63230617
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCN(c1ccccc1N)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C14H20N4O2S/c1-4-9-18(13-8-6-5-7-12(13)15)21(19,20)14-10(2)16-17-11(14)3/h5-8H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyBWCBVHNPOSPBKB-UHFFFAOYSA-N
XLogP2.21
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide (CID 63230617) is N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide is CCCN(c1ccccc1N)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BWCBVHNPOSPBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-9-18(13-8-6-5-7-12(13)15)21(19,20)14-10(2)16-17-11(14)3/h5-8H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide?
N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63230617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).