3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine

C12H20N4O2S — CID 106317226

IUPAC3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine
SMILESCC1=CCCN(S(=O)(=O)c2cnn(CCCN)c2)C1
InChIInChI=1S/C12H20N4O2S/c1-11-4-2-7-16(9-11)19(17,18)12-8-14-15(10-12)6-3-5-13/h4,8,10H,2-3,5-7,9,13H2,1H3
InChIKeyDQMWVRNXZHMXDU-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.57
Rot. Bonds5

About 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine

3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine (PubChem CID 106317226) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine
PubChem CID106317226
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine
SMILESCC1=CCCN(S(=O)(=O)c2cnn(CCCN)c2)C1
InChIInChI=1S/C12H20N4O2S/c1-11-4-2-7-16(9-11)19(17,18)12-8-14-15(10-12)6-3-5-13/h4,8,10H,2-3,5-7,9,13H2,1H3
InChIKeyDQMWVRNXZHMXDU-UHFFFAOYSA-N
XLogP0.57
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propanoic acid
CID 106313499
3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenoxy]propan-1-amine
CID 106317342
3-[4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]propan-1-amine
CID 83223561
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrazol-1-yl]ethanamine
CID 104961664
2-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenoxy]ethanamine
CID 106317319
2-[4-(3-methoxypiperidin-1-yl)sulfonylpyrazol-1-yl]ethanamine
CID 102971787
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
CID 106069166
[3,4-difluoro-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106317273

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine (CID 106317226) is 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine is CC1=CCCN(S(=O)(=O)c2cnn(CCCN)c2)C1.
What is the InChIKey of 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine?
The InChIKey is DQMWVRNXZHMXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-11-4-2-7-16(9-11)19(17,18)12-8-14-15(10-12)6-3-5-13/h4,8,10H,2-3,5-7,9,13H2,1H3.
What are the key properties of 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine?
3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine has a molecular weight of 284.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 106317226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).