2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide

C6H7Cl2N3O — CID 126995468

IUPAC2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(Cl)(Cl)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H7Cl2N3O/c1-6(7,8)5(12)10-4-2-3-9-11-4/h2-3H,1H3,(H2,9,10,11,12)
InChIKeyULJUVQIWKJYHEG-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.54
Rot. Bonds2

About 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide

2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 126995468) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
PubChem CID126995468
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(Cl)(Cl)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H7Cl2N3O/c1-6(7,8)5(12)10-4-2-3-9-11-4/h2-3H,1H3,(H2,9,10,11,12)
InChIKeyULJUVQIWKJYHEG-UHFFFAOYSA-N
XLogP1.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide (CID 126995468) is 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide is CC(Cl)(Cl)C(=O)Nc1ccn[nH]1.
What is the InChIKey of 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is ULJUVQIWKJYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O/c1-6(7,8)5(12)10-4-2-3-9-11-4/h2-3H,1H3,(H2,9,10,11,12).
What are the key properties of 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide?
2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 208.05 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 126995468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).