N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide

C11H20N4O3S — CID 70760368

IUPACN-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C11H20N4O3S/c1-9(2)15-8-10(7-13-15)11(16)12-5-6-14(3)19(4,17)18/h7-9H,5-6H2,1-4H3,(H,12,16)
InChIKeyPYNCLGNXUKZXAG-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.09
Rot. Bonds6

About N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70760368) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70760368
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCN(C)S(C)(=O)=O)cn1
InChIInChI=1S/C11H20N4O3S/c1-9(2)15-8-10(7-13-15)11(16)12-5-6-14(3)19(4,17)18/h7-9H,5-6H2,1-4H3,(H,12,16)
InChIKeyPYNCLGNXUKZXAG-UHFFFAOYSA-N
XLogP0.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53566932
[1-Ethyl-4-(propan-2-ylcarbamoyl)pyrazol-3-yl] methanesulfonate
CID 76308845
[1-methyl-4-(propan-2-ylcarbamoyl)pyrazol-3-yl] N,N-dimethylsulfamate
CID 76312549
[1-Propan-2-yl-4-(propan-2-ylcarbamoyl)pyrazol-3-yl] methanesulfonate
CID 76316052
[1-Methyl-4-(pentan-2-ylcarbamoyl)pyrazol-3-yl] methanesulfonate
CID 76319754
[1-Methyl-4-(pentan-3-ylcarbamoyl)pyrazol-3-yl] methanesulfonate
CID 76330615
[4-(Propan-2-ylcarbamoyl)-1-propylpyrazol-3-yl] methanesulfonate
CID 76330645
[1-(2-Fluoroethyl)-4-(propan-2-ylcarbamoyl)pyrazol-3-yl] methanesulfonate
CID 76330646
[1-Methyl-4-(propan-2-ylcarbamoyl)pyrazol-3-yl] methanesulfonate
CID 76330647
(2S)-2-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)piperazine dihydrochloride
CID 170913622
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1-methyl-1H-pyrazole-4-carboxamide
CID 91911022
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70760368) is N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCCN(C)S(C)(=O)=O)cn1.
What is the InChIKey of N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is PYNCLGNXUKZXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9(2)15-8-10(7-13-15)11(16)12-5-6-14(3)19(4,17)18/h7-9H,5-6H2,1-4H3,(H,12,16).
What are the key properties of N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70760368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).