1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide

C15H26N4O3S — CID 154748608

IUPAC1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCC(C)CS(=O)(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H26N4O3S/c1-4-12(2)11-23(21,22)19-7-5-14(6-8-19)17-15(20)13-9-16-18(3)10-13/h9-10,12,14H,4-8,11H2,1-3H3,(H,17,20)
InChIKeyVHHDFUXNAVELMX-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.99
Rot. Bonds6

About 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide

1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 154748608) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID154748608
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCC(C)CS(=O)(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H26N4O3S/c1-4-12(2)11-23(21,22)19-7-5-14(6-8-19)17-15(20)13-9-16-18(3)10-13/h9-10,12,14H,4-8,11H2,1-3H3,(H,17,20)
InChIKeyVHHDFUXNAVELMX-UHFFFAOYSA-N
XLogP0.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
CID 114309173
N-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51091043
N-[1-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55787857
1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 52523620
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
N-[1-(2-benzhydrylsulfanylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043552
N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47056200
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 154748608) is 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide is CCC(C)CS(=O)(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is VHHDFUXNAVELMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-4-12(2)11-23(21,22)19-7-5-14(6-8-19)17-15(20)13-9-16-18(3)10-13/h9-10,12,14H,4-8,11H2,1-3H3,(H,17,20).
What are the key properties of 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 154748608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).