3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide

C13H24N4O3S — CID 91842699

IUPAC3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCc2c(c(CO)nn2C)C1
InChIInChI=1S/C13H24N4O3S/c1-15(2)21(19,20)8-4-6-17-7-5-13-11(9-17)12(10-18)14-16(13)3/h18H,4-10H2,1-3H3
InChIKeyGQDJEKGULQQLAE-UHFFFAOYSA-N
MW316.43 g/mol
LogP-0.45
Rot. Bonds6

About 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide

3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 91842699) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID91842699
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCc2c(c(CO)nn2C)C1
InChIInChI=1S/C13H24N4O3S/c1-15(2)21(19,20)8-4-6-17-7-5-13-11(9-17)12(10-18)14-16(13)3/h18H,4-10H2,1-3H3
InChIKeyGQDJEKGULQQLAE-UHFFFAOYSA-N
XLogP-0.45
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide (CID 91842699) is 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCc2c(c(CO)nn2C)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is GQDJEKGULQQLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-15(2)21(19,20)8-4-6-17-7-5-13-11(9-17)12(10-18)14-16(13)3/h18H,4-10H2,1-3H3.
What are the key properties of 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 91842699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).