2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide

C7H9BrN4O2 — CID 130763298

IUPAC2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)n1ccc(Br)n1
InChIInChI=1S/C7H9BrN4O2/c1-4(6(13)10-7(9)14)12-3-2-5(8)11-12/h2-4H,1H3,(H3,9,10,13,14)
InChIKeyRYAPHXVVDQWZMW-UHFFFAOYSA-N
MW261.08 g/mol
LogP0.40
Rot. Bonds2

About 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide

2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide (PubChem CID 130763298) has the molecular formula C7H9BrN4O2 and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide
PubChem CID130763298
Molecular FormulaC7H9BrN4O2
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC Name2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)n1ccc(Br)n1
InChIInChI=1S/C7H9BrN4O2/c1-4(6(13)10-7(9)14)12-3-2-5(8)11-12/h2-4H,1H3,(H3,9,10,13,14)
InChIKeyRYAPHXVVDQWZMW-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

2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
2-(3-aminopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 60783024
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-carbamoylpropanamide
CID 43116774
1-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504430
2-(3-cyclopropylpyrazol-1-yl)propanehydrazide
CID 19621368
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-3-nitropyrazole-4-sulfonyl chloride
CID 82914445
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 107396697
2-(3-aminopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 60783044
N-carbamoyl-2-methylpropanamide
CID 541584
1-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097720
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
2-(3-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19536880

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide?
The IUPAC name of 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide (CID 130763298) is 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide?
The canonical SMILES for 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)n1ccc(Br)n1.
What is the InChIKey of 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide?
The InChIKey is RYAPHXVVDQWZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O2/c1-4(6(13)10-7(9)14)12-3-2-5(8)11-12/h2-4H,1H3,(H3,9,10,13,14).
What are the key properties of 2-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide?
2-(3-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-(3-bromopyrazol-1-yl)-N-carbamoylpropanamide is sourced from PubChem (CID 130763298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).