N-(5-chloro-1H-pyrazol-4-yl)acetamide

C5H6ClN3O — CID 91754462

IUPACN-(5-chloro-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn[nH]c1Cl
InChIInChI=1S/C5H6ClN3O/c1-3(10)8-4-2-7-9-5(4)6/h2H,1H3,(H,7,9)(H,8,10)
InChIKeyFDDYONREPPJKPZ-UHFFFAOYSA-N
MW159.58 g/mol
LogP1.02
Rot. Bonds1

About N-(5-chloro-1H-pyrazol-4-yl)acetamide

N-(5-chloro-1H-pyrazol-4-yl)acetamide (PubChem CID 91754462) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-4-yl)acetamide
PubChem CID91754462
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC NameN-(5-chloro-1H-pyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn[nH]c1Cl
InChIInChI=1S/C5H6ClN3O/c1-3(10)8-4-2-7-9-5(4)6/h2H,1H3,(H,7,9)(H,8,10)
InChIKeyFDDYONREPPJKPZ-UHFFFAOYSA-N
XLogP1.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)acetamide (CID 91754462) is N-(5-chloro-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-4-yl)acetamide is CC(=O)Nc1cn[nH]c1Cl.
What is the InChIKey of N-(5-chloro-1H-pyrazol-4-yl)acetamide?
The InChIKey is FDDYONREPPJKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-3(10)8-4-2-7-9-5(4)6/h2H,1H3,(H,7,9)(H,8,10).
What are the key properties of N-(5-chloro-1H-pyrazol-4-yl)acetamide?
N-(5-chloro-1H-pyrazol-4-yl)acetamide has a molecular weight of 159.58 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 91754462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).