3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide

C7H11N3O3S — CID 43540440

IUPAC3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)3-2-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyMJJUUILFMFAXJI-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.22
Rot. Bonds4

About 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide

3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43540440) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43540440
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)3-2-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyMJJUUILFMFAXJI-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide (CID 43540440) is 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide is CS(=O)(=O)CCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is MJJUUILFMFAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14(12,13)3-2-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide?
3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 217.25 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43540440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).