3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide

C12H14N4O2S — CID 43429720

IUPAC3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cn[nH]c1)c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-8(17)15-10(11-3-2-4-19-11)5-12(18)16-9-6-13-14-7-9/h2-4,6-7,10H,5H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyRLXCLGNHGSNYGL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.68
Rot. Bonds5

About 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide (PubChem CID 43429720) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide
PubChem CID43429720
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1cn[nH]c1)c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-8(17)15-10(11-3-2-4-19-11)5-12(18)16-9-6-13-14-7-9/h2-4,6-7,10H,5H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyRLXCLGNHGSNYGL-UHFFFAOYSA-N
XLogP1.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide (CID 43429720) is 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1cn[nH]c1)c1cccs1.
What is the InChIKey of 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is RLXCLGNHGSNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(17)15-10(11-3-2-4-19-11)5-12(18)16-9-6-13-14-7-9/h2-4,6-7,10H,5H2,1H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 278.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1H-pyrazol-4-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 43429720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).