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

C13H18N4O3S — CID 102690371

IUPACN-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(N(CCCN)S(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O3S/c1-20-12-5-3-11(4-6-12)17(10-2-8-14)21(18,19)13-7-9-15-16-13/h3-7,9H,2,8,10,14H2,1H3,(H,15,16)
InChIKeyHDJRVIOCGTYIBX-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.96
Rot. Bonds7

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

N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102690371) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102690371
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide
SMILESCOc1ccc(N(CCCN)S(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H18N4O3S/c1-20-12-5-3-11(4-6-12)17(10-2-8-14)21(18,19)13-7-9-15-16-13/h3-7,9H,2,8,10,14H2,1H3,(H,15,16)
InChIKeyHDJRVIOCGTYIBX-UHFFFAOYSA-N
XLogP0.96
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-methyl-N-(1H-pyrazol-5-ylsulfonyl)anilino]propanoic acid
CID 102690705
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690466
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692312
N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102694110
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide (CID 102690371) is N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide is COc1ccc(N(CCCN)S(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HDJRVIOCGTYIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-20-12-5-3-11(4-6-12)17(10-2-8-14)21(18,19)13-7-9-15-16-13/h3-7,9H,2,8,10,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide?
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).