N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide

C12H15N3O3S — CID 102692189

IUPACN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)c2ccn[nH]2)o1
InChIInChI=1S/C12H15N3O3S/c1-9-2-5-11(18-9)8-15(10-3-4-10)19(16,17)12-6-7-13-14-12/h2,5-7,10H,3-4,8H2,1H3,(H,13,14)
InChIKeyWGYLTRKPPOOZHX-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.66
Rot. Bonds5

About N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide

N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692189) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692189
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)c2ccn[nH]2)o1
InChIInChI=1S/C12H15N3O3S/c1-9-2-5-11(18-9)8-15(10-3-4-10)19(16,17)12-6-7-13-14-12/h2,5-7,10H,3-4,8H2,1H3,(H,13,14)
InChIKeyWGYLTRKPPOOZHX-UHFFFAOYSA-N
XLogP1.66
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 61059064
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692045
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
2-[3-[cyclopropyl-[(5-methylfuran-2-yl)methyl]sulfamoyl]phenyl]acetic acid
CID 154740064
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693564
1-N-[(2R)-butan-2-yl]-4-N-cyclopentyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-disulfonamide
CID 1176347
3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794179
N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide
CID 131897034
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
CID 102692275
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691826

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 102692189) is N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide is Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccn[nH]2)o1.
What is the InChIKey of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is WGYLTRKPPOOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-2-5-11(18-9)8-15(10-3-4-10)19(16,17)12-6-7-13-14-12/h2,5-7,10H,3-4,8H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide?
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).