N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C13H22N4O2S — CID 106599631

IUPACN-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H22N4O2S/c1-9-13(10(2)16-15-9)20(18,19)17(12-5-6-12)8-11-4-3-7-14-11/h11-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyAUYMPZNFJOICCO-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.93
Rot. Bonds5

About N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide

N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106599631) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106599631
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H22N4O2S/c1-9-13(10(2)16-15-9)20(18,19)17(12-5-6-12)8-11-4-3-7-14-11/h11-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyAUYMPZNFJOICCO-UHFFFAOYSA-N
XLogP0.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 63396431
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106599498
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
N,3,5-trimethyl-N-piperidin-3-yl-1H-pyrazole-4-sulfonamide
CID 60807200
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113065786
N-(dimethylsulfamoyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106630069
N-(dipropylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599557
5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106630061
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599610
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 106599631) is N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AUYMPZNFJOICCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-13(10(2)16-15-9)20(18,19)17(12-5-6-12)8-11-4-3-7-14-11/h11-12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106599631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).