2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C9H14ClN3O — CID 3162831

IUPAC2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(Cl)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C9H14ClN3O/c1-6(2)13-8(4-5-11-13)12-9(14)7(3)10/h4-7H,1-3H3,(H,12,14)
InChIKeyYIYHEKWPQOHKFS-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.03
Rot. Bonds3

About 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 3162831) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID3162831
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(Cl)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C9H14ClN3O/c1-6(2)13-8(4-5-11-13)12-9(14)7(3)10/h4-7H,1-3H3,(H,12,14)
InChIKeyYIYHEKWPQOHKFS-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 3162831) is 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(Cl)C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is YIYHEKWPQOHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(2)13-8(4-5-11-13)12-9(14)7(3)10/h4-7H,1-3H3,(H,12,14).
What are the key properties of 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 215.68 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 3162831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).