5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C17H21N3O3S — CID 71837240

IUPAC5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COc2ccccc2)c2c1CCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C17H21N3O3S/c1-19-17-9-10-20(24(21,22)14-7-8-14)11-15(17)16(18-19)12-23-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyLYKXAAMTPWDUAR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.85
Rot. Bonds5

About 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 71837240) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID71837240
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COc2ccccc2)c2c1CCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C17H21N3O3S/c1-19-17-9-10-20(24(21,22)14-7-8-14)11-15(17)16(18-19)12-23-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyLYKXAAMTPWDUAR-UHFFFAOYSA-N
XLogP1.85
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832735
3-[(3,5-difluorophenoxy)methyl]-1-methyl-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 155517110
5-(benzenesulfonyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832764
5-benzylsulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832612
5-(3,5-dimethylphenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832796
5-(4-fluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832722
5-[(2-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71819787
5-(2-ethylphenyl)sulfonyl-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 53018462
5-(2-ethylphenyl)sulfonyl-1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 53018467
5-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746640
1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590474
methyl 2-[5-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetate
CID 82586085

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 71837240) is 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cn1nc(COc2ccccc2)c2c1CCN(S(=O)(=O)C1CC1)C2.
What is the InChIKey of 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is LYKXAAMTPWDUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-19-17-9-10-20(24(21,22)14-7-8-14)11-15(17)16(18-19)12-23-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 347.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71837240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).