N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine

C12H22N4O2S — CID 84587086

IUPACN,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine
SMILESCN(CC1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1
InChIInChI=1S/C12H22N4O2S/c1-14(12-7-13-15(2)10-12)8-11-5-4-6-16(9-11)19(3,17)18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyPINOCIBRLVUGID-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.53
Rot. Bonds4

About N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine

N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine (PubChem CID 84587086) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine
PubChem CID84587086
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine
SMILESCN(CC1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1
InChIInChI=1S/C12H22N4O2S/c1-14(12-7-13-15(2)10-12)8-11-5-4-6-16(9-11)19(3,17)18/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyPINOCIBRLVUGID-UHFFFAOYSA-N
XLogP0.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((1-Methylpiperidin-3-yl)methyl)-1h-pyrazol-4-amine
CID 67113476
N,N-dimethyl-3-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propane-1-sulfonamide
CID 53621134
N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 75425329
N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
CID 75425359
8-[(1-Methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[3.5]nonane
CID 118741137
9-[(1-Methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 118745528
3-[(5-Fluoro-1-methylpyrazol-4-yl)-sulfamoylamino]-1-methylpiperidine
CID 155400886
(3S,5R)-3-fluoro-1-methyl-5-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
CID 167407411
(3S,5S)-3-fluoro-1-methyl-5-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
CID 167407463
(3R,5R)-3-fluoro-1-methyl-5-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
CID 167407464
(3R,5S)-3-fluoro-1-methyl-5-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidin-1-ium
CID 167407491
(3S,5R)-3-fluoro-1-methyl-5-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;trifluoromethanesulfonic acid
CID 175732279

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine (CID 84587086) is N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine is CN(CC1CCCN(S(C)(=O)=O)C1)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine?
The InChIKey is PINOCIBRLVUGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-14(12-7-13-15(2)10-12)8-11-5-4-6-16(9-11)19(3,17)18/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine?
N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine has a molecular weight of 286.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 84587086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).