N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide

C14H20N4O3S — CID 136563223

IUPACN,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide
SMILESCC1CN(Cc2ccc(S(=O)(=O)N(C)C)o2)Cc2cn[nH]c21
InChIInChI=1S/C14H20N4O3S/c1-10-7-18(8-11-6-15-16-14(10)11)9-12-4-5-13(21-12)22(19,20)17(2)3/h4-6,10H,7-9H2,1-3H3,(H,15,16)
InChIKeyVNJFZWOCWWLKQG-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.37
Rot. Bonds4

About N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide

N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide (PubChem CID 136563223) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide
PubChem CID136563223
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide
SMILESCC1CN(Cc2ccc(S(=O)(=O)N(C)C)o2)Cc2cn[nH]c21
InChIInChI=1S/C14H20N4O3S/c1-10-7-18(8-11-6-15-16-14(10)11)9-12-4-5-13(21-12)22(19,20)17(2)3/h4-6,10H,7-9H2,1-3H3,(H,15,16)
InChIKeyVNJFZWOCWWLKQG-UHFFFAOYSA-N
XLogP1.37
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide (CID 136563223) is N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide is CC1CN(Cc2ccc(S(=O)(=O)N(C)C)o2)Cc2cn[nH]c21.
What is the InChIKey of N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide?
The InChIKey is VNJFZWOCWWLKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10-7-18(8-11-6-15-16-14(10)11)9-12-4-5-13(21-12)22(19,20)17(2)3/h4-6,10H,7-9H2,1-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide?
N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 136563223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).