2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C9H15N3O3S — CID 103856613

IUPAC2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)S(C)(=O)=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O3S/c1-6(8-4-10-11-5-8)12-9(13)7(2)16(3,14)15/h4-7H,1-3H3,(H,10,11)(H,12,13)
InChIKeyQWNUCSRBOLOPKW-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.02
Rot. Bonds4

About 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103856613) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103856613
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)S(C)(=O)=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O3S/c1-6(8-4-10-11-5-8)12-9(13)7(2)16(3,14)15/h4-7H,1-3H3,(H,10,11)(H,12,13)
InChIKeyQWNUCSRBOLOPKW-UHFFFAOYSA-N
XLogP0.02
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103856613) is 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)C(C)S(C)(=O)=O)c1cn[nH]c1.
What is the InChIKey of 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is QWNUCSRBOLOPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-6(8-4-10-11-5-8)12-9(13)7(2)16(3,14)15/h4-7H,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 245.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103856613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).