1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C12H21N3O2S — CID 118489255

IUPAC1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCCn1nc(C(C)C)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C12H21N3O2S/c1-5-15-11-8-14(18(4,16)17)7-6-10(11)12(13-15)9(2)3/h9H,5-8H2,1-4H3
InChIKeyMHJVHXGPQYZOBM-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.34
Rot. Bonds3

About 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 118489255) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID118489255
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCCn1nc(C(C)C)c2c1CN(S(C)(=O)=O)CC2
InChIInChI=1S/C12H21N3O2S/c1-5-15-11-8-14(18(4,16)17)7-6-10(11)12(13-15)9(2)3/h9H,5-8H2,1-4H3
InChIKeyMHJVHXGPQYZOBM-UHFFFAOYSA-N
XLogP1.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)methanesulfonamide
CID 86266603
N-((1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)methanesulfonamide
CID 71808344
4-{[1-Methyl-5-(propane-1-sulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}morpholine
CID 124079176
4-{[5-(Ethanesulfonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}morpholine
CID 124079177
4-{[1-Methyl-5-(propane-2-sulfonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]methyl}morpholine
CID 124079182
11-(3,3,3-Trifluoropropanesulfonyl)-7,8,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1,6-diene
CID 119102663
N,N-dimethyl-7,8,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-1,6-diene-11-sulfonamide
CID 121019887
4-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
CID 122633449
4-[4-Methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
CID 134331566
4-[5-Ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine
CID 134331570
4-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-methylsulfonylpiperidine;ethane
CID 144862614
2-iodo-5-methylsulfonyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 163957183

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 118489255) is 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CCn1nc(C(C)C)c2c1CN(S(C)(=O)=O)CC2.
What is the InChIKey of 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is MHJVHXGPQYZOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15-11-8-14(18(4,16)17)7-6-10(11)12(13-15)9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 271.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118489255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).