3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide

C9H14N6O2S — CID 55215100

IUPAC3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1
InChIInChI=1S/C9H14N6O2S/c1-2-5-15-6-7(8(10)13-15)18(16,17)14-9-11-3-4-12-9/h3-4,6H,2,5H2,1H3,(H2,10,13)(H2,11,12,14)
InChIKeyZSZMIWPQJXWHNJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP0.40
Rot. Bonds5

About 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 55215100) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID55215100
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1
InChIInChI=1S/C9H14N6O2S/c1-2-5-15-6-7(8(10)13-15)18(16,17)14-9-11-3-4-12-9/h3-4,6H,2,5H2,1H3,(H2,10,13)(H2,11,12,14)
InChIKeyZSZMIWPQJXWHNJ-UHFFFAOYSA-N
XLogP0.40
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 56795167
2-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1H-imidazole-5-sulfonamide
CID 62998508
N-(2-cyclohexylpyrazol-3-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 75369302
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-propylpyrazole-4-sulfonamide
CID 164633988
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 164639716
1-cyclopentyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrazole-4-sulfonamide
CID 164640749
N-[4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 126828840
N-(3,3-difluoro-2-pyrazol-1-ylpropyl)-1H-imidazole-5-sulfonamide
CID 167826184
5-N-(1H-imidazol-5-ylsulfanyl)-3-N-methyl-1H-pyrazole-3,5-diamine
CID 123235187
4-(1H-imidazol-2-yldiazenyl)-1-propylpyrazol-5-amine
CID 137284714
4-(1H-imidazol-2-yldiazenyl)-1-methylpyrazol-5-amine
CID 137284715
1-butyl-4-(1H-imidazol-2-yldiazenyl)pyrazol-5-amine
CID 137284743

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide (CID 55215100) is 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ncc[nH]2)c(N)n1.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is ZSZMIWPQJXWHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-2-5-15-6-7(8(10)13-15)18(16,17)14-9-11-3-4-12-9/h3-4,6H,2,5H2,1H3,(H2,10,13)(H2,11,12,14).
What are the key properties of 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 270.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-yl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 55215100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).