N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide

C16H22BrN3O — CID 19537474

IUPACN-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)n1cc(Br)cn1
InChIInChI=1S/C16H22BrN3O/c1-10(20-9-14(17)8-18-20)15(21)19-16-5-11-2-12(6-16)4-13(3-11)7-16/h8-13H,2-7H2,1H3,(H,19,21)
InChIKeyZKVWBZLMZHKGSP-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.29
Rot. Bonds3

About N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide

N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide (PubChem CID 19537474) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide
PubChem CID19537474
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)n1cc(Br)cn1
InChIInChI=1S/C16H22BrN3O/c1-10(20-9-14(17)8-18-20)15(21)19-16-5-11-2-12(6-16)4-13(3-11)7-16/h8-13H,2-7H2,1H3,(H,19,21)
InChIKeyZKVWBZLMZHKGSP-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 45153796
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
N-(1-adamantyl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19532411
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
(2R)-2-(4-bromopyrazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 35523007
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
(2S)-2-(4-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35523203
1-[1-[1-(1-adamantyl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504980

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide?
The IUPAC name of N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide (CID 19537474) is N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide is CC(C(=O)NC12CC3CC(CC(C3)C1)C2)n1cc(Br)cn1.
What is the InChIKey of N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide?
The InChIKey is ZKVWBZLMZHKGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-10(20-9-14(17)8-18-20)15(21)19-16-5-11-2-12(6-16)4-13(3-11)7-16/h8-13H,2-7H2,1H3,(H,19,21).
What are the key properties of N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide?
N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide has a molecular weight of 352.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide is sourced from PubChem (CID 19537474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).