5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide

C9H14ClN3O — CID 61285695

IUPAC5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
SMILESO=C(CCCCCl)NCc1ccn[nH]1
InChIInChI=1S/C9H14ClN3O/c10-5-2-1-3-9(14)11-7-8-4-6-12-13-8/h4,6H,1-3,5,7H2,(H,11,14)(H,12,13)
InChIKeyRWLSKWUEPSMQOT-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.43
Rot. Bonds6

About 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide

5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide (PubChem CID 61285695) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
PubChem CID61285695
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide
SMILESO=C(CCCCCl)NCc1ccn[nH]1
InChIInChI=1S/C9H14ClN3O/c10-5-2-1-3-9(14)11-7-8-4-6-12-13-8/h4,6H,1-3,5,7H2,(H,11,14)(H,12,13)
InChIKeyRWLSKWUEPSMQOT-UHFFFAOYSA-N
XLogP1.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
3-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61284267
2-cyano-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 131084161
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
2-(3-amino-1,2,4-triazol-1-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284266
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The IUPAC name of 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide (CID 61285695) is 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide is O=C(CCCCCl)NCc1ccn[nH]1.
What is the InChIKey of 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide?
The InChIKey is RWLSKWUEPSMQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-5-2-1-3-9(14)11-7-8-4-6-12-13-8/h4,6H,1-3,5,7H2,(H,11,14)(H,12,13).
What are the key properties of 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide?
5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide has a molecular weight of 215.68 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-pyrazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 61285695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).