2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide

C8H11ClN4O2 — CID 61461806

IUPAC2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NCCn1cccn1
InChIInChI=1S/C8H11ClN4O2/c9-6-7(14)12-8(15)10-3-5-13-4-1-2-11-13/h1-2,4H,3,5-6H2,(H2,10,12,14,15)
InChIKeyMBNAAKWJLKZJQT-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.05
Rot. Bonds4

About 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide

2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide (PubChem CID 61461806) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
PubChem CID61461806
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)NCCn1cccn1
InChIInChI=1S/C8H11ClN4O2/c9-6-7(14)12-8(15)10-3-5-13-4-1-2-11-13/h1-2,4H,3,5-6H2,(H2,10,12,14,15)
InChIKeyMBNAAKWJLKZJQT-UHFFFAOYSA-N
XLogP-0.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
2,3-dimethyl-4-oxo-4-(2-pyrazol-1-ylethylcarbamoylamino)but-2-enoic acid
CID 76992391
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 66176150
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61461432
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide (CID 61461806) is 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide is O=C(CCl)NC(=O)NCCn1cccn1.
What is the InChIKey of 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide?
The InChIKey is MBNAAKWJLKZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c9-6-7(14)12-8(15)10-3-5-13-4-1-2-11-13/h1-2,4H,3,5-6H2,(H2,10,12,14,15).
What are the key properties of 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide?
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide has a molecular weight of 230.66 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 61461806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).