3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine

C8H14N4O2S — CID 170244252

IUPAC3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine
SMILESCc1nn(N)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C8H14N4O2S/c1-6-7-5-11(15(2,13)14)4-3-8(7)12(9)10-6/h3-5,9H2,1-2H3
InChIKeyMEPWACKBKVANIG-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.78
Rot. Bonds1

About 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine

3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine (PubChem CID 170244252) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine.

Molecular Properties

Compound Name3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine
PubChem CID170244252
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine
SMILESCc1nn(N)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C8H14N4O2S/c1-6-7-5-11(15(2,13)14)4-3-8(7)12(9)10-6/h3-5,9H2,1-2H3
InChIKeyMEPWACKBKVANIG-UHFFFAOYSA-N
XLogP-0.78
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine?
The IUPAC name of 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine (CID 170244252) is 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine.
What is the SMILES notation for 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine?
The canonical SMILES for 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine is Cc1nn(N)c2c1CN(S(C)(=O)=O)CC2.
What is the InChIKey of 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine?
The InChIKey is MEPWACKBKVANIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-6-7-5-11(15(2,13)14)4-3-8(7)12(9)10-6/h3-5,9H2,1-2H3.
What are the key properties of 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine?
3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine has a molecular weight of 230.29 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-amine is sourced from PubChem (CID 170244252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).