N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide

C12H20ClN3O — CID 104617741

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCCl)n[nH]1
InChIInChI=1S/C12H20ClN3O/c1-12(2,3)9-8-10(16-15-9)14-11(17)6-4-5-7-13/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyKIAROYYSEUDFPG-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.05
Rot. Bonds5

About N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide (PubChem CID 104617741) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
PubChem CID104617741
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCCl)n[nH]1
InChIInChI=1S/C12H20ClN3O/c1-12(2,3)9-8-10(16-15-9)14-11(17)6-4-5-7-13/h8H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyKIAROYYSEUDFPG-UHFFFAOYSA-N
XLogP3.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.05
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

N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
5-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pentanamide
CID 104617733
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
5-methoxy-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
CID 71847755
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide
CID 112688400

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide (CID 104617741) is N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide is CC(C)(C)c1cc(NC(=O)CCCCCl)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide?
The InChIKey is KIAROYYSEUDFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-12(2,3)9-8-10(16-15-9)14-11(17)6-4-5-7-13/h8H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide has a molecular weight of 257.76 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide is sourced from PubChem (CID 104617741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).