5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide

C11H18ClN3O — CID 104617733

IUPAC5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCC(C)c1cc(NC(=O)CCCCCl)n[nH]1
InChIInChI=1S/C11H18ClN3O/c1-8(2)9-7-10(15-14-9)13-11(16)5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeySFHWFQUTNFOGDC-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.88
Rot. Bonds6

About 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide

5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide (PubChem CID 104617733) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
PubChem CID104617733
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
SMILESCC(C)c1cc(NC(=O)CCCCCl)n[nH]1
InChIInChI=1S/C11H18ClN3O/c1-8(2)9-7-10(15-14-9)13-11(16)5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeySFHWFQUTNFOGDC-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.88
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-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]hexanoic acid
CID 104617331
4,4,4-trifluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 113245549
4-amino-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618390
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618436
3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115776624
3-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104618403
2-cyclobutyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 103710671
3-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 104619798
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
3,5,5-trimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)hexanamide
CID 112686564
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide (CID 104617733) is 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide is CC(C)c1cc(NC(=O)CCCCCl)n[nH]1.
What is the InChIKey of 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is SFHWFQUTNFOGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(2)9-7-10(15-14-9)13-11(16)5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide?
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 243.74 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 104617733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).