N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide

C8H11BrN4O2 — CID 107903728

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
SMILESCC(Br)C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C8H11BrN4O2/c1-5(9)8(15)12-6-2-11-13(3-6)4-7(10)14/h2-3,5H,4H2,1H3,(H2,10,14)(H,12,15)
InChIKeyIFISVJKYVKKOSC-UHFFFAOYSA-N
MW275.11 g/mol
LogP0.09
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide (PubChem CID 107903728) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
PubChem CID107903728
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
SMILESCC(Br)C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C8H11BrN4O2/c1-5(9)8(15)12-6-2-11-13(3-6)4-7(10)14/h2-3,5H,4H2,1H3,(H2,10,14)(H,12,15)
InChIKeyIFISVJKYVKKOSC-UHFFFAOYSA-N
XLogP0.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylpentanamide
CID 104683948
6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
CID 65290605
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
CID 75376897
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide (CID 107903728) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide is CC(Br)C(=O)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide?
The InChIKey is IFISVJKYVKKOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c1-5(9)8(15)12-6-2-11-13(3-6)4-7(10)14/h2-3,5H,4H2,1H3,(H2,10,14)(H,12,15).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide has a molecular weight of 275.11 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide is sourced from PubChem (CID 107903728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).