N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide

C10H17N3O2S — CID 102693054

IUPACN-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-9(7-8-3-4-8)13-16(14,15)10-5-6-11-12-10/h5-6,8-9,13H,2-4,7H2,1H3,(H,11,12)
InChIKeyFFKMCQHBGMGBFV-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.27
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide

N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693054) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693054
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-9(7-8-3-4-8)13-16(14,15)10-5-6-11-12-10/h5-6,8-9,13H,2-4,7H2,1H3,(H,11,12)
InChIKeyFFKMCQHBGMGBFV-UHFFFAOYSA-N
XLogP1.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
CID 102690413
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N'-hydroxy-3-(1H-pyrazol-5-ylsulfonylamino)pentanimidamide
CID 102693859
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-[cyano(cyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691140
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
2-cyclopropyl-2-(1H-pyrazol-5-ylsulfonylamino)ethanethioamide
CID 102691214

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102693054) is N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is FFKMCQHBGMGBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-9(7-8-3-4-8)13-16(14,15)10-5-6-11-12-10/h5-6,8-9,13H,2-4,7H2,1H3,(H,11,12).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).