N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide

C12H20N4O3S — CID 19399779

IUPACN-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C
InChIInChI=1S/C12H20N4O3S/c1-9-11(8-13-15(9)2)14-12(17)10-4-6-16(7-5-10)20(3,18)19/h8,10H,4-7H2,1-3H3,(H,14,17)
InChIKeyUJJKVOYZTGJVPZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.34
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19399779) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19399779
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C
InChIInChI=1S/C12H20N4O3S/c1-9-11(8-13-15(9)2)14-12(17)10-4-6-16(7-5-10)20(3,18)19/h8,10H,4-7H2,1-3H3,(H,14,17)
InChIKeyUJJKVOYZTGJVPZ-UHFFFAOYSA-N
XLogP0.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate
CID 19342316
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19469142
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122319866
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 51334705
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122297890
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 26052656
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 19399779) is N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is UJJKVOYZTGJVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9-11(8-13-15(9)2)14-12(17)10-4-6-16(7-5-10)20(3,18)19/h8,10H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19399779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).