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

C6H5ClN4O — CID 2451191

IUPAC2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide
SMILESN#Cc1cn[nH]c1NC(=O)CCl
InChIInChI=1S/C6H5ClN4O/c7-1-5(12)10-6-4(2-8)3-9-11-6/h3H,1H2,(H2,9,10,11,12)
InChIKeyMTTBXTGOHXXBSA-UHFFFAOYSA-N
MW184.59 g/mol
LogP0.46
Rot. Bonds2

About 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide

2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide (PubChem CID 2451191) has the molecular formula C6H5ClN4O and a molecular weight of 184.59 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide
PubChem CID2451191
Molecular FormulaC6H5ClN4O
Molecular Weight184.59 g/mol
Exact Mass184.02
IUPAC Name2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide
SMILESN#Cc1cn[nH]c1NC(=O)CCl
InChIInChI=1S/C6H5ClN4O/c7-1-5(12)10-6-4(2-8)3-9-11-6/h3H,1H2,(H2,9,10,11,12)
InChIKeyMTTBXTGOHXXBSA-UHFFFAOYSA-N
XLogP0.46
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.59
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-1H-pyrazol-5-yl)-2,2-dichloroacetamide
CID 2807704
N-(4-cyano-1H-pyrazol-5-yl)acetamide
CID 353942
2-chloro-N-(1H-pyrazol-3-yl)acetamide
CID 53983407
N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
CID 121254681
N-(4-Cyano-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 73553304
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79503749
N-(4-cyano-1H-pyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504492
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309877
N-(4-cyano-1H-pyrazol-5-yl)-2,2-difluoroacetamide
CID 103513780
N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 108055782
N-(4-cyano-1H-pyrazol-5-yl)-2,2,3,3,3-pentafluoropropanamide
CID 114037833
cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
CID 125471438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide (CID 2451191) is 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide is N#Cc1cn[nH]c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide?
The InChIKey is MTTBXTGOHXXBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O/c7-1-5(12)10-6-4(2-8)3-9-11-6/h3H,1H2,(H2,9,10,11,12).
What are the key properties of 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide?
2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide has a molecular weight of 184.59 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 2451191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).