N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide

C10H10BrN5O — CID 152809644

IUPACN-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1cn(-c2cncnc2)nc1Br
InChIInChI=1S/C10H10BrN5O/c1-7(17)15(2)9-5-16(14-10(9)11)8-3-12-6-13-4-8/h3-6H,1-2H3
InChIKeySQJNOJTYWPXHAM-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.41
Rot. Bonds2

About N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide

N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide (PubChem CID 152809644) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide
PubChem CID152809644
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC NameN-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1cn(-c2cncnc2)nc1Br
InChIInChI=1S/C10H10BrN5O/c1-7(17)15(2)9-5-16(14-10(9)11)8-3-12-6-13-4-8/h3-6H,1-2H3
InChIKeySQJNOJTYWPXHAM-UHFFFAOYSA-N
XLogP1.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide?
The IUPAC name of N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide (CID 152809644) is N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide is CC(=O)N(C)c1cn(-c2cncnc2)nc1Br.
What is the InChIKey of N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide?
The InChIKey is SQJNOJTYWPXHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-7(17)15(2)9-5-16(14-10(9)11)8-3-12-6-13-4-8/h3-6H,1-2H3.
What are the key properties of N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide?
N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide has a molecular weight of 296.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-pyrimidin-5-ylpyrazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 152809644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).