2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide

C7H9BrN4O2 — CID 61029814

IUPAC2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)n1cc(Br)cn1
InChIInChI=1S/C7H9BrN4O2/c1-4(6(13)11-7(9)14)12-3-5(8)2-10-12/h2-4H,1H3,(H3,9,11,13,14)
InChIKeyPHJIDCSROUTFDW-UHFFFAOYSA-N
MW261.08 g/mol
LogP0.40
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide

2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide (PubChem CID 61029814) has the molecular formula C7H9BrN4O2 and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
PubChem CID61029814
Molecular FormulaC7H9BrN4O2
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC Name2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)n1cc(Br)cn1
InChIInChI=1S/C7H9BrN4O2/c1-4(6(13)11-7(9)14)12-3-5(8)2-10-12/h2-4H,1H3,(H3,9,11,13,14)
InChIKeyPHJIDCSROUTFDW-UHFFFAOYSA-N
XLogP0.40
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-cyclooctylpropanamide
CID 154834581
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 130763298
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294693
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789
2-(4-bromopyrazol-1-yl)-N-(4-cyanophenyl)propanamide
CID 45153765
N-(1-adamantyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19537474

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide (CID 61029814) is 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide?
The InChIKey is PHJIDCSROUTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O2/c1-4(6(13)11-7(9)14)12-3-5(8)2-10-12/h2-4H,1H3,(H3,9,11,13,14).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide?
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide has a molecular weight of 261.08 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide is sourced from PubChem (CID 61029814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).