2-acetamido-N-(1H-pyrazol-4-yl)propanamide

C8H12N4O2 — CID 43429400

IUPAC2-acetamido-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H12N4O2/c1-5(11-6(2)13)8(14)12-7-3-9-10-4-7/h3-5H,1-2H3,(H,9,10)(H,11,13)(H,12,14)
InChIKeyCGWKJRWVSSAPAY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.13
Rot. Bonds3

About 2-acetamido-N-(1H-pyrazol-4-yl)propanamide

2-acetamido-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43429400) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-acetamido-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43429400
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-acetamido-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H12N4O2/c1-5(11-6(2)13)8(14)12-7-3-9-10-4-7/h3-5H,1-2H3,(H,9,10)(H,11,13)(H,12,14)
InChIKeyCGWKJRWVSSAPAY-UHFFFAOYSA-N
XLogP-0.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2-acetamido-N-(1H-pyrazol-4-yl)propanamide (CID 43429400) is 2-acetamido-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(1H-pyrazol-4-yl)propanamide is CC(=O)NC(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-acetamido-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is CGWKJRWVSSAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(11-6(2)13)8(14)12-7-3-9-10-4-7/h3-5H,1-2H3,(H,9,10)(H,11,13)(H,12,14).
What are the key properties of 2-acetamido-N-(1H-pyrazol-4-yl)propanamide?
2-acetamido-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43429400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).