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

C14H24N4O3S — CID 19469142

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(C(C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C
InChIInChI=1S/C14H24N4O3S/c1-10(13-9-15-17(3)11(13)2)16-14(19)12-5-7-18(8-6-12)22(4,20)21/h9-10,12H,5-8H2,1-4H3,(H,16,19)
InChIKeyDDFOEPHDUBJGRB-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.58
Rot. Bonds4

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

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19469142) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19469142
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1c(C(C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C
InChIInChI=1S/C14H24N4O3S/c1-10(13-9-15-17(3)11(13)2)16-14(19)12-5-7-18(8-6-12)22(4,20)21/h9-10,12H,5-8H2,1-4H3,(H,16,19)
InChIKeyDDFOEPHDUBJGRB-UHFFFAOYSA-N
XLogP0.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19399779
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 124753102
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(4-fluorophenyl)sulfonylazetidine-3-carboxamide
CID 92633137
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 103722966
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30207052
(1S,6S)-6-[[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51851312
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47027427
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
(2S)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155289
methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate
CID 19342316
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19469142) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1c(C(C)NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DDFOEPHDUBJGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-10(13-9-15-17(3)11(13)2)16-14(19)12-5-7-18(8-6-12)22(4,20)21/h9-10,12H,5-8H2,1-4H3,(H,16,19).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19469142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).