5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide

C12H17N3O3S — CID 50784623

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NC(C)C)o2)c1C
InChIInChI=1S/C12H17N3O3S/c1-7(2)15-19(16,17)11-6-5-10(18-11)12-8(3)9(4)13-14-12/h5-7,15H,1-4H3,(H,13,14)
InChIKeyYOTZZGJJDPOKKT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.97
Rot. Bonds4

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide (PubChem CID 50784623) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide
PubChem CID50784623
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NC(C)C)o2)c1C
InChIInChI=1S/C12H17N3O3S/c1-7(2)15-19(16,17)11-6-5-10(18-11)12-8(3)9(4)13-14-12/h5-7,15H,1-4H3,(H,13,14)
InChIKeyYOTZZGJJDPOKKT-UHFFFAOYSA-N
XLogP1.97
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide (CID 50784623) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)NC(C)C)o2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide?
The InChIKey is YOTZZGJJDPOKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7(2)15-19(16,17)11-6-5-10(18-11)12-8(3)9(4)13-14-12/h5-7,15H,1-4H3,(H,13,14).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-propan-2-ylfuran-2-sulfonamide is sourced from PubChem (CID 50784623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).