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

C16H20BrN3O — CID 115589940

IUPAC3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCc2cccc(Br)c2)n[nH]1
InChIInChI=1S/C16H20BrN3O/c1-16(2,3)13-10-14(20-19-13)18-15(21)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,7-8H2,1-3H3,(H2,18,19,20,21)
InChIKeyKXLICBZBKNXGOV-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.04
Rot. Bonds4

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

3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide (PubChem CID 115589940) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
PubChem CID115589940
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
SMILESCC(C)(C)c1cc(NC(=O)CCc2cccc(Br)c2)n[nH]1
InChIInChI=1S/C16H20BrN3O/c1-16(2,3)13-10-14(20-19-13)18-15(21)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,7-8H2,1-3H3,(H2,18,19,20,21)
InChIKeyKXLICBZBKNXGOV-UHFFFAOYSA-N
XLogP4.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 115603580
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
CID 115273748
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-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(propan-2-ylamino)propanamide
CID 104618617
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
3-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoic acid
CID 64671922
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide (CID 115589940) is 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide is CC(C)(C)c1cc(NC(=O)CCc2cccc(Br)c2)n[nH]1.
What is the InChIKey of 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is KXLICBZBKNXGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-16(2,3)13-10-14(20-19-13)18-15(21)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,7-8H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 350.26 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 115589940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).