N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide

C14H19N3O4S — CID 84600650

IUPACN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)c1ccoc1
InChIInChI=1S/C14H19N3O4S/c1-9(2)7-17-11(4)13(10(3)15-17)22(19,20)16-14(18)12-5-6-21-8-12/h5-6,8-9H,7H2,1-4H3,(H,16,18)
InChIKeyTXAOZRGCVLDGQE-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.87
Rot. Bonds5

About N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide

N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide (PubChem CID 84600650) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide
PubChem CID84600650
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)c1ccoc1
InChIInChI=1S/C14H19N3O4S/c1-9(2)7-17-11(4)13(10(3)15-17)22(19,20)16-14(18)12-5-6-21-8-12/h5-6,8-9H,7H2,1-4H3,(H,16,18)
InChIKeyTXAOZRGCVLDGQE-UHFFFAOYSA-N
XLogP1.87
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide (CID 84600650) is N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)c1ccoc1.
What is the InChIKey of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide?
The InChIKey is TXAOZRGCVLDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9(2)7-17-11(4)13(10(3)15-17)22(19,20)16-14(18)12-5-6-21-8-12/h5-6,8-9H,7H2,1-4H3,(H,16,18).
What are the key properties of N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide?
N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylfuran-3-carboxamide is sourced from PubChem (CID 84600650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).