2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide

C8H12ClN3O — CID 43180348

IUPAC2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Cl)n(C)n1
InChIInChI=1S/C8H12ClN3O/c1-5-4-7(12(3)11-5)10-8(13)6(2)9/h4,6H,1-3H3,(H,10,13)
InChIKeyGHHOZQSLTYCSOD-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.29
Rot. Bonds2

About 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide

2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide (PubChem CID 43180348) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
PubChem CID43180348
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Cl)n(C)n1
InChIInChI=1S/C8H12ClN3O/c1-5-4-7(12(3)11-5)10-8(13)6(2)9/h4,6H,1-3H3,(H,10,13)
InChIKeyGHHOZQSLTYCSOD-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179
2-chloro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
CID 136636473
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
CID 42109659
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 52915206
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide
CID 99598507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide (CID 43180348) is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)Cl)n(C)n1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The InChIKey is GHHOZQSLTYCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5-4-7(12(3)11-5)10-8(13)6(2)9/h4,6H,1-3H3,(H,10,13).
What are the key properties of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide?
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide has a molecular weight of 201.66 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 43180348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).