2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide

C7H11N3O3S — CID 61357055

IUPAC2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCS(=O)(=O)CC(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)5-7(11)8-2-6-3-9-10-4-6/h3-4H,2,5H2,1H3,(H,8,11)(H,9,10)
InChIKeyIBUJWYZRTGKDKC-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.93
Rot. Bonds4

About 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide

2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 61357055) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID61357055
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCS(=O)(=O)CC(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)5-7(11)8-2-6-3-9-10-4-6/h3-4H,2,5H2,1H3,(H,8,11)(H,9,10)
InChIKeyIBUJWYZRTGKDKC-UHFFFAOYSA-N
XLogP-0.93
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 61357055) is 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide is CS(=O)(=O)CC(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is IBUJWYZRTGKDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14(12,13)5-7(11)8-2-6-3-9-10-4-6/h3-4H,2,5H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 217.25 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 61357055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).