1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine

C11H20N4O2S — CID 79778965

IUPAC1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(NCC2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C11H20N4O2S/c1-14-7-5-11(13-14)12-8-10-4-3-6-15(9-10)18(2,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,12,13)
InChIKeyNKVWBVFSRZVYHK-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.50
Rot. Bonds4

About 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine

1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine (PubChem CID 79778965) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine
PubChem CID79778965
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(NCC2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C11H20N4O2S/c1-14-7-5-11(13-14)12-8-10-4-3-6-15(9-10)18(2,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,12,13)
InChIKeyNKVWBVFSRZVYHK-UHFFFAOYSA-N
XLogP0.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-1-methylpyrazol-3-amine
CID 62072265
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512
[1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105228709
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-4-propylaniline
CID 79613286
4-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79619930
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 95131678
3-fluoro-2-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79612603
3-bromo-5-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 107583152
3-bromo-4-fluoro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 104777744
4-methoxy-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610681

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine (CID 79778965) is 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine is Cn1ccc(NCC2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine?
The InChIKey is NKVWBVFSRZVYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-14-7-5-11(13-14)12-8-10-4-3-6-15(9-10)18(2,16)17/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine?
1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine has a molecular weight of 272.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 79778965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).