N-(1H-pyrazol-5-yl)acetamide

C5H7N3O — CID 2777527

IUPACN-(1H-pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C5H7N3O/c1-4(9)7-5-2-3-6-8-5/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyCSSKIQUMIWCMJR-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.37
Rot. Bonds1

About N-(1H-pyrazol-5-yl)acetamide

N-(1H-pyrazol-5-yl)acetamide (PubChem CID 2777527) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)acetamide
PubChem CID2777527
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC NameN-(1H-pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1ccn[nH]1
InChIInChI=1S/C5H7N3O/c1-4(9)7-5-2-3-6-8-5/h2-3H,1H3,(H2,6,7,8,9)
InChIKeyCSSKIQUMIWCMJR-UHFFFAOYSA-N
XLogP0.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(1H-pyrazol-5-yl)acetamide (CID 2777527) is N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)acetamide is CC(=O)Nc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is CSSKIQUMIWCMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-4(9)7-5-2-3-6-8-5/h2-3H,1H3,(H2,6,7,8,9).
What are the key properties of N-(1H-pyrazol-5-yl)acetamide?
N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 125.13 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 2777527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).