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

C8H12N4O2 — CID 61000039

IUPAC2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCC(=O)NCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H12N4O2/c1-6(13)9-5-8(14)10-2-7-3-11-12-4-7/h3-4H,2,5H2,1H3,(H,9,13)(H,10,14)(H,11,12)
InChIKeyBNHRPKOTYIASSJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.84
Rot. Bonds4

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

2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 61000039) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID61000039
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESCC(=O)NCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H12N4O2/c1-6(13)9-5-8(14)10-2-7-3-11-12-4-7/h3-4H,2,5H2,1H3,(H,9,13)(H,10,14)(H,11,12)
InChIKeyBNHRPKOTYIASSJ-UHFFFAOYSA-N
XLogP-0.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.84
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-ylmethyl)acetamide?
The IUPAC name of 2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 61000039) is 2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide is CC(=O)NCC(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is BNHRPKOTYIASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-6(13)9-5-8(14)10-2-7-3-11-12-4-7/h3-4H,2,5H2,1H3,(H,9,13)(H,10,14)(H,11,12).
What are the key properties of 2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-acetamido-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 196.21 g/mol, XLogP of -0.84, 4 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-ylmethyl)acetamide is sourced from PubChem (CID 61000039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).