2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide

C12H22N4O3S — CID 91837686

IUPAC2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCNC(=O)C(C)NS(C)(=O)=O)c(C)c1C
InChIInChI=1S/C12H22N4O3S/c1-8-9(2)14-16(11(8)4)7-6-13-12(17)10(3)15-20(5,18)19/h10,15H,6-7H2,1-5H3,(H,13,17)
InChIKeyQLFQEIQNQVAZAM-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.14
Rot. Bonds6

About 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide

2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (PubChem CID 91837686) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
PubChem CID91837686
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
SMILESCc1nn(CCNC(=O)C(C)NS(C)(=O)=O)c(C)c1C
InChIInChI=1S/C12H22N4O3S/c1-8-9(2)14-16(11(8)4)7-6-13-12(17)10(3)15-20(5,18)19/h10,15H,6-7H2,1-5H3,(H,13,17)
InChIKeyQLFQEIQNQVAZAM-UHFFFAOYSA-N
XLogP-0.14
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide (CID 91837686) is 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is Cc1nn(CCNC(=O)C(C)NS(C)(=O)=O)c(C)c1C.
What is the InChIKey of 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
The InChIKey is QLFQEIQNQVAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-8-9(2)14-16(11(8)4)7-6-13-12(17)10(3)15-20(5,18)19/h10,15H,6-7H2,1-5H3,(H,13,17).
What are the key properties of 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide?
2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide has a molecular weight of 302.40 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 91837686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).