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

C14H25N3O — CID 113226294

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H25N3O/c1-5-6-7-8-9-13(18)15-12-10-11(16-17-12)14(2,3)4/h10H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyXCDXDBZPSBSAGY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.62
Rot. Bonds6

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

N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide (PubChem CID 113226294) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
PubChem CID113226294
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
SMILESCCCCCCC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H25N3O/c1-5-6-7-8-9-13(18)15-12-10-11(16-17-12)14(2,3)4/h10H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyXCDXDBZPSBSAGY-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-5-chloropentanamide
CID 104617741
N-(5-methyl-1H-pyrazol-3-yl)nonanamide
CID 47289748
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
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
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
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55977589
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

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide (CID 113226294) is N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide is CCCCCCC(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide?
The InChIKey is XCDXDBZPSBSAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-6-7-8-9-13(18)15-12-10-11(16-17-12)14(2,3)4/h10H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide has a molecular weight of 251.37 g/mol, XLogP of 3.62, 6 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)heptanamide is sourced from PubChem (CID 113226294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).