3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide

C9H14ClN3O — CID 104617718

IUPAC3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
SMILESCCCc1cc(NC(=O)CCCl)n[nH]1
InChIInChI=1S/C9H14ClN3O/c1-2-3-7-6-8(13-12-7)11-9(14)4-5-10/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyJMVZAINGGIZQQJ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.93
Rot. Bonds5

About 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide

3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide (PubChem CID 104617718) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
PubChem CID104617718
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
SMILESCCCc1cc(NC(=O)CCCl)n[nH]1
InChIInChI=1S/C9H14ClN3O/c1-2-3-7-6-8(13-12-7)11-9(14)4-5-10/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyJMVZAINGGIZQQJ-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
3-phenoxy-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621117
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540
2-(cyclopentylamino)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide (CID 104617718) is 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide is CCCc1cc(NC(=O)CCCl)n[nH]1.
What is the InChIKey of 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is JMVZAINGGIZQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-3-7-6-8(13-12-7)11-9(14)4-5-10/h6H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 215.68 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 104617718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).