3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide

C16H20BrN3O — CID 91196330

IUPAC3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
SMILESCCC(c1ccc(Br)cc1)C(C(N)=O)c1c(C)n[nH]c1C
InChIInChI=1S/C16H20BrN3O/c1-4-13(11-5-7-12(17)8-6-11)15(16(18)21)14-9(2)19-20-10(14)3/h5-8,13,15H,4H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyZYZKWUNWUYNMKH-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.55
Rot. Bonds5

About 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide

3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide (PubChem CID 91196330) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
PubChem CID91196330
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
SMILESCCC(c1ccc(Br)cc1)C(C(N)=O)c1c(C)n[nH]c1C
InChIInChI=1S/C16H20BrN3O/c1-4-13(11-5-7-12(17)8-6-11)15(16(18)21)14-9(2)19-20-10(14)3/h5-8,13,15H,4H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyZYZKWUNWUYNMKH-UHFFFAOYSA-N
XLogP3.55
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
CID 171898617
1-bromo-4-(4-bromohexan-3-yl)benzene
CID 79307100
3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 170827509
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
N-(4-bromo-2-hydroxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 86788484
ethyl 2-(4-bromophenyl)-2-ethoxyacetate
CID 12714669
[(2R)-1-amino-1-oxopropan-2-yl]-[(1S)-1-(4-bromophenyl)propyl]azanium
CID 8643350
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 107868791
3-chloro-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 171861478
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
The IUPAC name of 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide (CID 91196330) is 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide.
What is the SMILES notation for 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
The canonical SMILES for 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide is CCC(c1ccc(Br)cc1)C(C(N)=O)c1c(C)n[nH]c1C.
What is the InChIKey of 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
The InChIKey is ZYZKWUNWUYNMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-13(11-5-7-12(17)8-6-11)15(16(18)21)14-9(2)19-20-10(14)3/h5-8,13,15H,4H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide has a molecular weight of 350.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide is sourced from PubChem (CID 91196330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).