N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C13H17FN4O2S — CID 60912475

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4O2S/c1-10-13(9-16-17-10)21(19,20)18(8-2-7-15)12-5-3-11(14)4-6-12/h3-6,9H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyJLTLXSMDVXSLBV-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.40
Rot. Bonds6

About N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 60912475) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID60912475
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C13H17FN4O2S/c1-10-13(9-16-17-10)21(19,20)18(8-2-7-15)12-5-3-11(14)4-6-12/h3-6,9H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyJLTLXSMDVXSLBV-UHFFFAOYSA-N
XLogP1.40
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
N-[4-(aminomethyl)phenyl]-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60911604
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60910953
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912110
2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
CID 60910822
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
CID 114813771
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 102690371
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
N'-(4-fluorophenyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63208164
N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 60912475) is N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JLTLXSMDVXSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-10-13(9-16-17-10)21(19,20)18(8-2-7-15)12-5-3-11(14)4-6-12/h3-6,9H,2,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).