2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide

C8H11ClN4O2 — CID 102806777

IUPAC2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
SMILESCc1nn(C)cc1NC(=O)NC(=O)CCl
InChIInChI=1S/C8H11ClN4O2/c1-5-6(4-13(2)12-5)10-8(15)11-7(14)3-9/h4H,3H2,1-2H3,(H2,10,11,14,15)
InChIKeyGIYJRGZRRSVGPT-UHFFFAOYSA-N
MW230.66 g/mol
LogP0.62
Rot. Bonds2

About 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide

2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide (PubChem CID 102806777) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
PubChem CID102806777
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
SMILESCc1nn(C)cc1NC(=O)NC(=O)CCl
InChIInChI=1S/C8H11ClN4O2/c1-5-6(4-13(2)12-5)10-8(15)11-7(14)3-9/h4H,3H2,1-2H3,(H2,10,11,14,15)
InChIKeyGIYJRGZRRSVGPT-UHFFFAOYSA-N
XLogP0.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 50.62
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

N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
1-(1,3-dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346068
4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 102806525
2-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide (CID 102806777) is 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide is Cc1nn(C)cc1NC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide?
The InChIKey is GIYJRGZRRSVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-5-6(4-13(2)12-5)10-8(15)11-7(14)3-9/h4H,3H2,1-2H3,(H2,10,11,14,15).
What are the key properties of 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide?
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide has a molecular weight of 230.66 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide is sourced from PubChem (CID 102806777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).