5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide

C10H16ClN3O — CID 104617778

IUPAC5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide
SMILESCCc1cn[nH]c1NC(=O)CCCCCl
InChIInChI=1S/C10H16ClN3O/c1-2-8-7-12-14-10(8)13-9(15)5-3-4-6-11/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyCIOZCQKHRBZUJA-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.32
Rot. Bonds6

About 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide

5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide (PubChem CID 104617778) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide
PubChem CID104617778
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide
SMILESCCc1cn[nH]c1NC(=O)CCCCCl
InChIInChI=1S/C10H16ClN3O/c1-2-8-7-12-14-10(8)13-9(15)5-3-4-6-11/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyCIOZCQKHRBZUJA-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.32
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

3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104617783
N-(4-ethyl-1H-pyrazol-5-yl)-2-methylsulfanylacetamide
CID 115680788
3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115680816
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 63665630
N-(4-ethyl-1H-pyrazol-5-yl)-2-propan-2-yloxyacetamide
CID 115692319
N-(4-ethyl-1H-pyrazol-5-yl)-3-piperidin-2-ylpropanamide
CID 104619290
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methylphenyl)acetamide
CID 113251561
2-cyclobutyl-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 103750288
2-(4-ethylphenoxy)-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 115680804
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylimidazole-4-carboxamide
CID 103862812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide?
The IUPAC name of 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide (CID 104617778) is 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide is CCc1cn[nH]c1NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide?
The InChIKey is CIOZCQKHRBZUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-8-7-12-14-10(8)13-9(15)5-3-4-6-11/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide?
5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide has a molecular weight of 229.71 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)pentanamide is sourced from PubChem (CID 104617778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).